Hmdb loader

Showing metabocard for Inositol-P-ceramide (HMDB0012237)

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enzymes (59) Show 59 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:21:32 UTC
Update Date2022-03-07 02:51:22 UTC
HMDB IDHMDB0012237
Secondary Accession Numbers
  • HMDB12237
Metabolite Identification
Common NameInositol-P-ceramide
DescriptionInositol-P-ceramide is found in the sphingolipid metabolism pathway. Inositol-P-ceramide is formed when α hydroxyphytoceramide and inositol phosphate react. The reaction is catalyzed by inositol phosphoceramide synthase. Inositol-P-ceramide reacts with GDP-α-D-mannose to produce mannosyl-inositol-phosphorylceramide and GDP. This reaction is catalyzed by inositol phosphorylceramide mannosyltransferase.
Structure
Data?1582753031
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0012237 (Inositol-P-ceramide)


  Mrv0541 02241203522D          

 65 65  0  0  0  0            999 V2000
   11.4420  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1565  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8710  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5855  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2999  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0144  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7289  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4433  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1578  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8723  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5868  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3013  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0157  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7302  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4447  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7275  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0130  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7275  -10.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4420  -11.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986  -11.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0130  -13.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7275  -13.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7275  -14.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4420  -13.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1565  -13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8710  -13.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5854  -13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2999  -13.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0144  -13.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1578  -13.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3013  -13.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0157  -13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.4447  -13.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1591  -13.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.5881  -13.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3026  -13.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.7315  -13.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4460  -13.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   27.8750  -13.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5895  -13.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4308  -13.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 10  1  0  0  0  0
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M  END
Download

3D MOL for HMDB0012237 (Inositol-P-ceramide)

HMDB0012237
     RDKit          3D
Inositol-P-ceramide
165165  0  0  0  0  0  0  0  0999 V2000
   16.2985    3.7210    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9053    4.3742   -0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0834    3.5595   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7014    2.3350   -1.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0392    1.1889   -1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1099    0.2035   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8515    0.4712    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7437    0.9161   -0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4724    1.2504    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9362    0.0821    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -1.1091    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6190   -0.9530   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2298   -0.5372   -0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630   -1.5345    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3409   -1.1783    0.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891   -1.0276    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689    0.0267   -0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    1.4337   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627    1.7121    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.5433    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6888    1.8396    1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    1.6353    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6967    1.8748    1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5243    0.9966    3.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -0.4428    2.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749   -0.8592    1.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.8539    2.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0556   -1.5731    1.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2657   -7.3725   -0.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6465   -7.0594   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4989   -8.1279   -2.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6281   -9.4846   -1.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4802  -10.5778   -1.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5692   -9.8505   -0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3692  -10.2042   -1.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3482   -8.6609    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1884   -8.7580    0.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4377   -1.3489   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556   -1.7714   -1.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7193   -1.5660   -1.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7281   -0.8611   -2.8215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8848   -1.1539   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9142    0.2747   -0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9391    1.1981   -1.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0577    2.6669   -1.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3433    2.9566   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5269    2.5564   -1.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8364    2.7672   -0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4250    4.0853   -0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6599    5.0205    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4672    6.3084    0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7472    6.0367    1.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4639    7.3545    1.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6830    8.3380    2.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5119    9.5817    2.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3621    3.3835    0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6474    2.8845    1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1922    4.4486    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3032    5.2859   -0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8171    4.7638   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7843    4.2590   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1477    3.3282   -0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6289    2.7265   -2.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0491    2.0448   -2.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7629    1.4412   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7500    0.5492   -1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8588   -0.4845   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7111   -0.6191    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5945   -0.4692    0.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0380    1.2233    1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5156    0.0032   -1.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971    1.6765   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7359    1.6190   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6998    2.0602    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.4206    1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6293   -0.2123    1.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5482   -1.5363   -0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3057   -1.9316    0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4672   -1.9443   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9160   -0.2576   -1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1701    0.4615   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6170   -0.6184   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6226   -2.5349   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0012237 (Inositol-P-ceramide)


  Mrv0541 02241203522D          

 65 65  0  0  0  0            999 V2000
   11.4420  -12.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 53 55  1  0  0  0  0
 61 57  1  0  0  0  0
 62 59  1  0  0  0  0
 63 60  1  0  0  0  0
 64 58  1  0  0  0  0
 65 56  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012237

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)

> <INCHI_KEY>
PMXMKGYRVPAIJJ-UHFFFAOYSA-N

> <FORMULA>
C50H100NO13P

> <MOLECULAR_WEIGHT>
954.3017

> <EXACT_MASS>
953.693228803

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
117.06072153558185

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphinic acid

> <ALOGPS_LOGP>
7.12

> <JCHEM_LOGP>
10.562048570666668

> <ALOGPS_LOGS>
-6.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.14686002089742

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8429067276140794

> <JCHEM_PKA_STRONGEST_BASIC>
-3.595121438454849

> <JCHEM_POLAR_SURFACE_AREA>
246.69999999999996

> <JCHEM_REFRACTIVITY>
256.5457

> <JCHEM_ROTATABLE_BOND_COUNT>
45

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.61e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0012237 (Inositol-P-ceramide)

HMDB0012237
     RDKit          3D
Inositol-P-ceramide
165165  0  0  0  0  0  0  0  0999 V2000
   16.2985    3.7210    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9053    4.3742   -0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0834    3.5595   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7014    2.3350   -1.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0392    1.1889   -1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1099    0.2035   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8515    0.4712    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7437    0.9161   -0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4724    1.2504    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9362    0.0821    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -1.1091    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6190   -0.9530   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2298   -0.5372   -0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630   -1.5345    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3409   -1.1783    0.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891   -1.0276    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689    0.0267   -0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    1.4337   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627    1.7121    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.5433    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6888    1.8396    1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    1.6353    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6967    1.8748    1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5243    0.9966    3.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -0.4428    2.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749   -0.8592    1.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.8539    2.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9654   -0.5563    2.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -1.5731    1.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393   -2.0155    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2858   -3.5278    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4440   -4.0449   -0.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3457   -5.7146   -0.3353 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.1923   -6.2355    0.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0693   -6.1524   -1.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7910   -6.3845    0.2362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2657   -7.3725   -0.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6465   -7.0594   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3004   -6.1386   -0.3613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4850   -8.3283   -1.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4989   -8.1279   -2.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6281   -9.4846   -1.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4802  -10.5778   -1.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5692   -9.8505   -0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3692  -10.2042   -1.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3482   -8.6609    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1884   -8.7580    0.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4377   -1.3489   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556   -1.7714   -1.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7193   -1.5660   -1.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7281   -0.8611   -2.8215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8848   -1.1539   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9142    0.2747   -0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9391    1.1981   -1.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0577    2.6669   -1.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3433    2.9566   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5269    2.5564   -1.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8364    2.7672   -0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4250    4.0853   -0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6599    5.0205    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4672    6.3084    0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7472    6.0367    1.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4639    7.3545    1.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6830    8.3380    2.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5119    9.5817    2.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3621    3.3835    0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6474    2.8845    1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1922    4.4486    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3032    5.2859   -0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8171    4.7638   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7843    4.2590   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1477    3.3282   -0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6289    2.7265   -2.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0491    2.0448   -2.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7629    1.4412   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7500    0.5492   -1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8588   -0.4845   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7111   -0.6191    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5945   -0.4692    0.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0380    1.2233    1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5156    0.0032   -1.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971    1.6765   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7359    1.6190   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6998    2.0602    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.4206    1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6293   -0.2123    1.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5482   -1.5363   -0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3057   -1.9316    0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4672   -1.9443   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9160   -0.2576   -1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1701    0.4615   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6170   -0.6184   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6226   -2.5349   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3915   -1.7015    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   -1.8542    1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4458   -0.1651    1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2657   -1.0186    0.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0117   -2.0276   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664   -0.0304   -1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -0.0123   -1.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    2.1108   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074    1.6299    0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621    1.1715    1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1799    2.7990    0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441    2.2962   -0.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    0.5408   -0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597    1.2742    2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7881    2.9387    1.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1301    0.6830    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1144    2.4886    0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7534    1.8619    1.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    2.9435    2.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4854    1.1825    3.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3189    1.2320    3.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4473   -1.0752    3.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654   -1.8213    1.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2038   -1.8125    0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1372   -1.6723    1.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -3.7896   -0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -3.9110    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7663   -5.7325   -2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6064   -7.5348   -1.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5762   -6.7024   -2.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8408   -5.5377   -0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9173   -8.5703   -0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2065   -7.7071   -2.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1945   -9.1347   -2.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9583  -10.4326   -2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9351  -10.6785   -0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7695   -9.4376   -1.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1857   -8.5332    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2506   -8.0121    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296   -0.2617   -0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -2.0437   -2.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8810   -2.6676   -1.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3309   -1.2500   -3.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9429   -1.8090    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8149   -1.4094   -1.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9581    0.4947    0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7097    0.4758    0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    0.9533   -2.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9415    1.1617   -2.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0960    3.2513   -2.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1801    2.9746   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3675    2.3544    0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2584    3.9944   -0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4136    1.4371   -1.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4530    2.9739   -2.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8630    2.2171    0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6507    2.1709   -1.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4263    3.8635    0.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7071    4.6293   -1.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3691    4.6039    1.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8013    5.4394   -0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8229    6.9077    1.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6454    6.7880   -0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4660    5.4074    0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5421    5.6223    2.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4432    7.1605    2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6277    7.8044    0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3767    7.9215    3.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7462    8.6300    2.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1690    9.6554    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0995    9.5077    3.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8516   10.4781    2.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END
Download

PDB for HMDB0012237 (Inositol-P-ceramide)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      21.358 -22.772   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.692 -22.002   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.026 -22.772   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.360 -22.002   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.693 -22.772   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      28.027 -22.002   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      29.361 -22.772   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      30.694 -22.002   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      32.028 -22.772   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      33.362 -22.002   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.695 -22.772   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      36.029 -22.002   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      37.363 -22.772   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      38.696 -22.002   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      40.030 -22.772   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.025 -22.002   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      18.691 -22.772   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      20.025 -20.462   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      21.358 -21.306   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      17.357 -22.002   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      18.691 -24.312   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      20.025 -25.082   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      20.025 -26.622   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      21.358 -24.312   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      22.692 -25.082   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      24.026 -24.312   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      25.359 -25.082   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      26.693 -24.312   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      28.027 -25.082   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      29.361 -24.312   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      30.694 -25.082   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      32.028 -24.312   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      33.362 -25.082   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      34.695 -24.312   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      36.029 -25.082   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      37.363 -24.312   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      38.696 -25.082   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      40.030 -24.313   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      41.364 -25.083   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      42.698 -24.313   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      44.031 -25.083   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      45.365 -24.313   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      46.699 -25.083   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      48.032 -24.313   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      49.366 -25.083   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      50.700 -24.313   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      52.033 -25.083   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      53.367 -24.314   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      21.337 -25.791   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      16.024 -22.772   0.000  0.00  0.00           O+0
HETATM   51  P   UNK     0      14.690 -22.002   0.000  0.00  0.00           P+0
HETATM   52  O   UNK     0      13.356 -21.232   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      13.920 -23.335   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      15.460 -20.668   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      12.380 -23.335   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      11.610 -24.669   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      11.610 -22.002   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      10.070 -24.669   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      10.070 -22.002   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       9.300 -23.335   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      12.380 -20.668   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0       9.300 -20.668   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0       7.760 -23.335   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0       9.300 -26.003   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      12.380 -26.003   0.000  0.00  0.00           O+0
CONECT    1    2   16   19                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16    1   17   18                                                  
CONECT   17   16   20   21                                                  
CONECT   18   16                                                            
CONECT   19    1                                                            
CONECT   20   17   50                                                       
CONECT   21   17   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   49                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47                                                            
CONECT   49   24                                                            
CONECT   50   20   51                                                       
CONECT   51   52   53   54   50                                             
CONECT   52   51                                                            
CONECT   53   51   55                                                       
CONECT   54   51                                                            
CONECT   55   56   57   53                                                  
CONECT   56   55   58   65                                                  
CONECT   57   55   59   61                                                  
CONECT   58   56   60   64                                                  
CONECT   59   57   60   62                                                  
CONECT   60   58   59   63                                                  
CONECT   61   57                                                            
CONECT   62   59                                                            
CONECT   63   60                                                            
CONECT   64   58                                                            
CONECT   65   56                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  130    0
END
Download

3D PDB for HMDB0012237 (Inositol-P-ceramide)

COMPND    HMDB0012237
HETATM    1  C1  UNL     1      16.298   3.721   0.950  1.00  0.00           C  
HETATM    2  C2  UNL     1      15.905   4.374  -0.311  1.00  0.00           C  
HETATM    3  C3  UNL     1      15.083   3.559  -1.254  1.00  0.00           C  
HETATM    4  C4  UNL     1      15.701   2.335  -1.820  1.00  0.00           C  
HETATM    5  C5  UNL     1      16.039   1.189  -1.018  1.00  0.00           C  
HETATM    6  C6  UNL     1      15.110   0.204  -0.498  1.00  0.00           C  
HETATM    7  C7  UNL     1      13.851   0.471   0.218  1.00  0.00           C  
HETATM    8  C8  UNL     1      12.744   0.916  -0.660  1.00  0.00           C  
HETATM    9  C9  UNL     1      11.472   1.250   0.076  1.00  0.00           C  
HETATM   10  C10 UNL     1      10.936   0.082   0.859  1.00  0.00           C  
HETATM   11  C11 UNL     1      10.628  -1.109   0.031  1.00  0.00           C  
HETATM   12  C12 UNL     1       9.619  -0.953  -1.037  1.00  0.00           C  
HETATM   13  C13 UNL     1       8.230  -0.537  -0.553  1.00  0.00           C  
HETATM   14  C14 UNL     1       7.663  -1.534   0.394  1.00  0.00           C  
HETATM   15  C15 UNL     1       6.341  -1.178   0.945  1.00  0.00           C  
HETATM   16  C16 UNL     1       5.189  -1.028   0.071  1.00  0.00           C  
HETATM   17  C17 UNL     1       5.069   0.027  -0.942  1.00  0.00           C  
HETATM   18  C18 UNL     1       5.136   1.434  -0.379  1.00  0.00           C  
HETATM   19  C19 UNL     1       4.063   1.712   0.646  1.00  0.00           C  
HETATM   20  C20 UNL     1       2.683   1.543   0.121  1.00  0.00           C  
HETATM   21  C21 UNL     1       1.689   1.840   1.242  1.00  0.00           C  
HETATM   22  C22 UNL     1       0.289   1.635   0.771  1.00  0.00           C  
HETATM   23  C23 UNL     1      -0.697   1.875   1.861  1.00  0.00           C  
HETATM   24  C24 UNL     1      -0.524   0.997   3.058  1.00  0.00           C  
HETATM   25  C25 UNL     1      -0.613  -0.443   2.738  1.00  0.00           C  
HETATM   26  O1  UNL     1       0.375  -0.859   1.844  1.00  0.00           O  
HETATM   27  C26 UNL     1      -1.959  -0.854   2.221  1.00  0.00           C  
HETATM   28  O2  UNL     1      -2.965  -0.556   2.864  1.00  0.00           O  
HETATM   29  N1  UNL     1      -2.056  -1.573   1.017  1.00  0.00           N  
HETATM   30  C27 UNL     1      -3.339  -2.016   0.465  1.00  0.00           C  
HETATM   31  C28 UNL     1      -3.286  -3.528   0.324  1.00  0.00           C  
HETATM   32  O3  UNL     1      -4.444  -4.045  -0.159  1.00  0.00           O  
HETATM   33  P1  UNL     1      -4.346  -5.715  -0.335  1.00  0.00           P  
HETATM   34  O4  UNL     1      -3.192  -6.236   0.487  1.00  0.00           O  
HETATM   35  O5  UNL     1      -4.069  -6.152  -1.947  1.00  0.00           O  
HETATM   36  O6  UNL     1      -5.791  -6.384   0.236  1.00  0.00           O  
HETATM   37  C29 UNL     1      -6.266  -7.373  -0.624  1.00  0.00           C  
HETATM   38  C30 UNL     1      -7.647  -7.059  -1.172  1.00  0.00           C  
HETATM   39  O7  UNL     1      -8.300  -6.139  -0.361  1.00  0.00           O  
HETATM   40  C31 UNL     1      -8.485  -8.328  -1.215  1.00  0.00           C  
HETATM   41  O8  UNL     1      -9.499  -8.128  -2.141  1.00  0.00           O  
HETATM   42  C32 UNL     1      -7.628  -9.485  -1.744  1.00  0.00           C  
HETATM   43  O9  UNL     1      -8.480 -10.578  -1.888  1.00  0.00           O  
HETATM   44  C33 UNL     1      -6.569  -9.851  -0.727  1.00  0.00           C  
HETATM   45  O10 UNL     1      -5.369 -10.204  -1.299  1.00  0.00           O  
HETATM   46  C34 UNL     1      -6.348  -8.661   0.153  1.00  0.00           C  
HETATM   47  O11 UNL     1      -5.188  -8.758   0.932  1.00  0.00           O  
HETATM   48  C35 UNL     1      -3.438  -1.349  -0.894  1.00  0.00           C  
HETATM   49  O12 UNL     1      -2.356  -1.771  -1.692  1.00  0.00           O  
HETATM   50  C36 UNL     1      -4.719  -1.566  -1.614  1.00  0.00           C  
HETATM   51  O13 UNL     1      -4.728  -0.861  -2.822  1.00  0.00           O  
HETATM   52  C37 UNL     1      -5.885  -1.154  -0.791  1.00  0.00           C  
HETATM   53  C38 UNL     1      -5.914   0.275  -0.368  1.00  0.00           C  
HETATM   54  C39 UNL     1      -5.939   1.198  -1.526  1.00  0.00           C  
HETATM   55  C40 UNL     1      -6.058   2.667  -1.154  1.00  0.00           C  
HETATM   56  C41 UNL     1      -7.343   2.957  -0.377  1.00  0.00           C  
HETATM   57  C42 UNL     1      -8.527   2.556  -1.180  1.00  0.00           C  
HETATM   58  C43 UNL     1      -9.836   2.767  -0.567  1.00  0.00           C  
HETATM   59  C44 UNL     1     -10.425   4.085  -0.308  1.00  0.00           C  
HETATM   60  C45 UNL     1      -9.660   5.020   0.527  1.00  0.00           C  
HETATM   61  C46 UNL     1     -10.467   6.308   0.797  1.00  0.00           C  
HETATM   62  C47 UNL     1     -11.747   6.037   1.514  1.00  0.00           C  
HETATM   63  C48 UNL     1     -12.464   7.354   1.738  1.00  0.00           C  
HETATM   64  C49 UNL     1     -11.683   8.338   2.546  1.00  0.00           C  
HETATM   65  C50 UNL     1     -12.512   9.582   2.695  1.00  0.00           C  
HETATM   66  H1  UNL     1      17.362   3.383   0.911  1.00  0.00           H  
HETATM   67  H2  UNL     1      15.647   2.884   1.223  1.00  0.00           H  
HETATM   68  H3  UNL     1      16.192   4.449   1.823  1.00  0.00           H  
HETATM   69  H4  UNL     1      15.303   5.286  -0.067  1.00  0.00           H  
HETATM   70  H5  UNL     1      16.817   4.764  -0.868  1.00  0.00           H  
HETATM   71  H6  UNL     1      14.784   4.259  -2.091  1.00  0.00           H  
HETATM   72  H7  UNL     1      14.148   3.328  -0.689  1.00  0.00           H  
HETATM   73  H8  UNL     1      16.629   2.726  -2.406  1.00  0.00           H  
HETATM   74  H9  UNL     1      15.049   2.045  -2.735  1.00  0.00           H  
HETATM   75  H10 UNL     1      16.763   1.441  -0.157  1.00  0.00           H  
HETATM   76  H11 UNL     1      16.750   0.549  -1.730  1.00  0.00           H  
HETATM   77  H12 UNL     1      14.859  -0.484  -1.426  1.00  0.00           H  
HETATM   78  H13 UNL     1      15.711  -0.619   0.092  1.00  0.00           H  
HETATM   79  H14 UNL     1      13.595  -0.469   0.786  1.00  0.00           H  
HETATM   80  H15 UNL     1      14.038   1.223   1.027  1.00  0.00           H  
HETATM   81  H16 UNL     1      12.516   0.003  -1.359  1.00  0.00           H  
HETATM   82  H17 UNL     1      12.997   1.677  -1.356  1.00  0.00           H  
HETATM   83  H18 UNL     1      10.736   1.619  -0.636  1.00  0.00           H  
HETATM   84  H19 UNL     1      11.700   2.060   0.797  1.00  0.00           H  
HETATM   85  H20 UNL     1      10.002   0.421   1.346  1.00  0.00           H  
HETATM   86  H21 UNL     1      11.629  -0.212   1.660  1.00  0.00           H  
HETATM   87  H22 UNL     1      11.548  -1.536  -0.461  1.00  0.00           H  
HETATM   88  H23 UNL     1      10.306  -1.932   0.720  1.00  0.00           H  
HETATM   89  H24 UNL     1       9.467  -1.944  -1.518  1.00  0.00           H  
HETATM   90  H25 UNL     1       9.916  -0.258  -1.848  1.00  0.00           H  
HETATM   91  H26 UNL     1       8.170   0.462  -0.154  1.00  0.00           H  
HETATM   92  H27 UNL     1       7.617  -0.618  -1.499  1.00  0.00           H  
HETATM   93  H28 UNL     1       7.623  -2.535  -0.156  1.00  0.00           H  
HETATM   94  H29 UNL     1       8.391  -1.701   1.266  1.00  0.00           H  
HETATM   95  H30 UNL     1       6.106  -1.854   1.844  1.00  0.00           H  
HETATM   96  H31 UNL     1       6.446  -0.165   1.501  1.00  0.00           H  
HETATM   97  H32 UNL     1       4.266  -1.019   0.744  1.00  0.00           H  
HETATM   98  H33 UNL     1       5.012  -2.028  -0.482  1.00  0.00           H  
HETATM   99  H34 UNL     1       3.966  -0.030  -1.324  1.00  0.00           H  
HETATM  100  H35 UNL     1       5.635  -0.012  -1.858  1.00  0.00           H  
HETATM  101  H36 UNL     1       4.945   2.111  -1.237  1.00  0.00           H  
HETATM  102  H37 UNL     1       6.107   1.630   0.075  1.00  0.00           H  
HETATM  103  H38 UNL     1       4.262   1.171   1.594  1.00  0.00           H  
HETATM  104  H39 UNL     1       4.180   2.799   0.900  1.00  0.00           H  
HETATM  105  H40 UNL     1       2.544   2.296  -0.700  1.00  0.00           H  
HETATM  106  H41 UNL     1       2.431   0.541  -0.271  1.00  0.00           H  
HETATM  107  H42 UNL     1       1.960   1.274   2.125  1.00  0.00           H  
HETATM  108  H43 UNL     1       1.788   2.939   1.474  1.00  0.00           H  
HETATM  109  H44 UNL     1       0.130   0.683   0.210  1.00  0.00           H  
HETATM  110  H45 UNL     1       0.114   2.489   0.017  1.00  0.00           H  
HETATM  111  H46 UNL     1      -1.753   1.862   1.483  1.00  0.00           H  
HETATM  112  H47 UNL     1      -0.535   2.943   2.205  1.00  0.00           H  
HETATM  113  H48 UNL     1       0.485   1.183   3.526  1.00  0.00           H  
HETATM  114  H49 UNL     1      -1.319   1.232   3.838  1.00  0.00           H  
HETATM  115  H50 UNL     1      -0.447  -1.075   3.659  1.00  0.00           H  
HETATM  116  H51 UNL     1       0.565  -1.821   1.907  1.00  0.00           H  
HETATM  117  H52 UNL     1      -1.204  -1.812   0.478  1.00  0.00           H  
HETATM  118  H53 UNL     1      -4.137  -1.672   1.113  1.00  0.00           H  
HETATM  119  H54 UNL     1      -2.444  -3.790  -0.361  1.00  0.00           H  
HETATM  120  H55 UNL     1      -2.994  -3.911   1.325  1.00  0.00           H  
HETATM  121  H56 UNL     1      -4.766  -5.733  -2.523  1.00  0.00           H  
HETATM  122  H57 UNL     1      -5.606  -7.535  -1.501  1.00  0.00           H  
HETATM  123  H58 UNL     1      -7.576  -6.702  -2.227  1.00  0.00           H  
HETATM  124  H59 UNL     1      -8.841  -5.538  -0.921  1.00  0.00           H  
HETATM  125  H60 UNL     1      -8.917  -8.570  -0.237  1.00  0.00           H  
HETATM  126  H61 UNL     1      -9.207  -7.707  -2.972  1.00  0.00           H  
HETATM  127  H62 UNL     1      -7.195  -9.135  -2.687  1.00  0.00           H  
HETATM  128  H63 UNL     1      -8.958 -10.433  -2.745  1.00  0.00           H  
HETATM  129  H64 UNL     1      -6.935 -10.679  -0.067  1.00  0.00           H  
HETATM  130  H65 UNL     1      -4.770  -9.438  -1.495  1.00  0.00           H  
HETATM  131  H66 UNL     1      -7.186  -8.533   0.898  1.00  0.00           H  
HETATM  132  H67 UNL     1      -5.251  -8.012   1.599  1.00  0.00           H  
HETATM  133  H68 UNL     1      -3.230  -0.262  -0.704  1.00  0.00           H  
HETATM  134  H69 UNL     1      -2.643  -2.044  -2.580  1.00  0.00           H  
HETATM  135  H70 UNL     1      -4.881  -2.668  -1.846  1.00  0.00           H  
HETATM  136  H71 UNL     1      -5.331  -1.250  -3.482  1.00  0.00           H  
HETATM  137  H72 UNL     1      -5.943  -1.809   0.137  1.00  0.00           H  
HETATM  138  H73 UNL     1      -6.815  -1.409  -1.403  1.00  0.00           H  
HETATM  139  H74 UNL     1      -4.958   0.495   0.199  1.00  0.00           H  
HETATM  140  H75 UNL     1      -6.710   0.476   0.385  1.00  0.00           H  
HETATM  141  H76 UNL     1      -6.692   0.953  -2.292  1.00  0.00           H  
HETATM  142  H77 UNL     1      -4.942   1.162  -2.076  1.00  0.00           H  
HETATM  143  H78 UNL     1      -6.096   3.251  -2.087  1.00  0.00           H  
HETATM  144  H79 UNL     1      -5.180   2.975  -0.579  1.00  0.00           H  
HETATM  145  H80 UNL     1      -7.368   2.354   0.566  1.00  0.00           H  
HETATM  146  H81 UNL     1      -7.258   3.994  -0.055  1.00  0.00           H  
HETATM  147  H82 UNL     1      -8.414   1.437  -1.352  1.00  0.00           H  
HETATM  148  H83 UNL     1      -8.453   2.974  -2.227  1.00  0.00           H  
HETATM  149  H84 UNL     1      -9.863   2.217   0.455  1.00  0.00           H  
HETATM  150  H85 UNL     1     -10.651   2.171  -1.123  1.00  0.00           H  
HETATM  151  H86 UNL     1     -11.426   3.864   0.225  1.00  0.00           H  
HETATM  152  H87 UNL     1     -10.707   4.629  -1.269  1.00  0.00           H  
HETATM  153  H88 UNL     1      -9.369   4.604   1.484  1.00  0.00           H  
HETATM  154  H89 UNL     1      -8.801   5.439  -0.085  1.00  0.00           H  
HETATM  155  H90 UNL     1      -9.823   6.908   1.449  1.00  0.00           H  
HETATM  156  H91 UNL     1     -10.645   6.788  -0.169  1.00  0.00           H  
HETATM  157  H92 UNL     1     -12.466   5.407   0.945  1.00  0.00           H  
HETATM  158  H93 UNL     1     -11.542   5.622   2.538  1.00  0.00           H  
HETATM  159  H94 UNL     1     -13.443   7.160   2.236  1.00  0.00           H  
HETATM  160  H95 UNL     1     -12.628   7.804   0.718  1.00  0.00           H  
HETATM  161  H96 UNL     1     -11.377   7.921   3.516  1.00  0.00           H  
HETATM  162  H97 UNL     1     -10.746   8.630   2.019  1.00  0.00           H  
HETATM  163  H98 UNL     1     -13.169   9.655   1.788  1.00  0.00           H  
HETATM  164  H99 UNL     1     -13.100   9.508   3.617  1.00  0.00           H  
HETATM  165  HA0 UNL     1     -11.852  10.478   2.686  1.00  0.00           H  
CONECT    1    2   66   67   68
CONECT    2    3   69   70
CONECT    3    4   71   72
CONECT    4    5   73   74
CONECT    5    6   75   76
CONECT    6    7   77   78
CONECT    7    8   79   80
CONECT    8    9   81   82
CONECT    9   10   83   84
CONECT   10   11   85   86
CONECT   11   12   87   88
CONECT   12   13   89   90
CONECT   13   14   91   92
CONECT   14   15   93   94
CONECT   15   16   95   96
CONECT   16   17   97   98
CONECT   17   18   99  100
CONECT   18   19  101  102
CONECT   19   20  103  104
CONECT   20   21  105  106
CONECT   21   22  107  108
CONECT   22   23  109  110
CONECT   23   24  111  112
CONECT   24   25  113  114
CONECT   25   26   27  115
CONECT   26  116
CONECT   27   28   28   29
CONECT   29   30  117
CONECT   30   31   48  118
CONECT   31   32  119  120
CONECT   32   33
CONECT   33   34   34   35   36
CONECT   35  121
CONECT   36   37
CONECT   37   38   46  122
CONECT   38   39   40  123
CONECT   39  124
CONECT   40   41   42  125
CONECT   41  126
CONECT   42   43   44  127
CONECT   43  128
CONECT   44   45   46  129
CONECT   45  130
CONECT   46   47  131
CONECT   47  132
CONECT   48   49   50  133
CONECT   49  134
CONECT   50   51   52  135
CONECT   51  136
CONECT   52   53  137  138
CONECT   53   54  139  140
CONECT   54   55  141  142
CONECT   55   56  143  144
CONECT   56   57  145  146
CONECT   57   58  147  148
CONECT   58   59  149  150
CONECT   59   60  151  152
CONECT   60   61  153  154
CONECT   61   62  155  156
CONECT   62   63  157  158
CONECT   63   64  159  160
CONECT   64   65  161  162
CONECT   65  163  164  165
END
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SMILES for HMDB0012237 (Inositol-P-ceramide)

CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC
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INCHI for HMDB0012237 (Inositol-P-ceramide)

InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
IPCHMDB
N-[3,4-Dihydroxy-1-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)octadecan-2-yl]-2-hydroxyhexacosanimidateGenerator
Chemical FormulaC50H100NO13P
Average Molecular Weight954.3017
Monoisotopic Molecular Weight953.693228803
IUPAC Name{[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphinic acid
Traditional Name[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphinic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)
InChI KeyPMXMKGYRVPAIJJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSphingolipids
Sub ClassPhosphosphingolipids
Direct ParentPhosphosphingolipids
Alternative Parents
Substituents
  • Sphingoid-1-phosphate or derivatives
  • Inositol phosphate
  • Phosphoethanolamine
  • Cyclohexanol
  • Dialkyl phosphate
  • Cyclitol or derivatives
  • Fatty amide
  • Monosaccharide
  • N-acyl-amine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acyl
  • Cyclic alcohol
  • Carboxamide group
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Polyol
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Alcohol
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.00086 g/LALOGPS
logP7.12ALOGPS
logP10.56ChemAxon
logS-6ALOGPS
pKa (Strongest Acidic)1.84ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area246.7 ŲChemAxon
Rotatable Bond Count45ChemAxon
Refractivity256.55 m³·mol⁻¹ChemAxon
Polarizability117.06 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+327.37431661259
DarkChem[M-H]-315.71131661259
DeepCCS[M+H]+301.52630932474
DeepCCS[M-H]-299.70130932474
DeepCCS[M-2H]-332.94230932474
DeepCCS[M+Na]+307.74630932474
AllCCS[M+H]+311.832859911
AllCCS[M+H-H2O]+311.832859911
AllCCS[M+NH4]+311.832859911
AllCCS[M+Na]+311.832859911
AllCCS[M-H]-318.232859911
AllCCS[M+Na-2H]-321.032859911
AllCCS[M+HCOO]-324.232859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.10.0 minutes32390414
Predicted by Siyang on May 30, 202224.784 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.58 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid131.8 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid5543.2 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid161.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid346.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid185.7 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid1004.5 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid1260.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid1194.6 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)649.9 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid2576.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid1147.4 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid2730.0 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid934.4 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid722.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate221.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA101.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water9.2 seconds40023050

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inositol-P-ceramide 10V, Positive-QTOFsplash10-0f6x-5000003917-d10ceec7bb8592446bb62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inositol-P-ceramide 20V, Positive-QTOFsplash10-00r7-9102002514-94d39f728e38ed187aad2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inositol-P-ceramide 40V, Positive-QTOFsplash10-0006-9101010110-804f0d2ec6bc7233337f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inositol-P-ceramide 10V, Negative-QTOFsplash10-0udi-0000000009-71b1aa51b56e5ffae3a52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inositol-P-ceramide 20V, Negative-QTOFsplash10-0udi-1021030019-41ae475e845a2fecf4f52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Inositol-P-ceramide 40V, Negative-QTOFsplash10-0a6r-9231000010-64118ccf5fdc255351ee2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028880
KNApSAcK IDNot Available
Chemspider ID24765754
KEGG Compound IDNot Available
BioCyc IDIPC
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25245972
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
  6. Ghosh S, Strum JC, Bell RM: Lipid biochemistry: functions of glycerolipids and sphingolipids in cellular signaling. FASEB J. 1997 Jan;11(1):45-50. [PubMed:9034165 ]
  7. Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
  8. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Only showing the first 10 proteins. There are 59 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Galactocerebrosidase
General function:
Involved in galactosylceramidase activity
Specific function:
Hydrolyzes the galactose ester bonds of galactosylceramide, galactosylsphingosine, lactosylceramide, and monogalactosyldiglyceride. Enzyme with very low activity responsible for the lysosomal catabolism of galactosylceramide, a major lipid in myelin, kidney and epithelial cells of small intestine and colon.
Gene Name:
GALC
Uniprot ID:
P54803
Molecular weight:
77062.86
Enzyme Details
2. Globoside alpha-1,3-N-acetylgalactosaminyltransferase 1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Catalyzes the formation of some glycolipid via the addition of N-acetylgalactosamine (GalNAc) in alpha-1,3-linkage to some substrate. Glycolipids probably serve for adherence of some pathogens
Gene Name:
GBGT1
Uniprot ID:
Q8N5D6
Molecular weight:
40126.9
Enzyme Details
3. N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase
General function:
Involved in N-acetylglucosaminylphosphatidylinositol de
Specific function:
Involved in the second step of GPI biosynthesis. De-N-acetylation of N-acetylglucosaminyl-phosphatidylinositol.
Gene Name:
PIGL
Uniprot ID:
Q9Y2B2
Molecular weight:
28530.965
Enzyme Details
4. Sphingomyelin phosphodiesterase
General function:
Involved in hydrolase activity
Specific function:
Converts sphingomyelin to ceramide. Also has phospholipase C activities toward 1,2-diacylglycerolphosphocholine and 1,2-diacylglycerolphosphoglycerol. Isoform 2 and isoform 3 have lost catalytic activity.
Gene Name:
SMPD1
Uniprot ID:
P17405
Molecular weight:
69935.53
Enzyme Details
5. Ceramide glucosyltransferase
General function:
Cell wall/membrane/envelope biogenesis
Specific function:
Catalyzes the first glycosylation step in glycosphingolipid biosynthesis, the transfer of glucose to ceramide. May also serve as a "flippase".
Gene Name:
UGCG
Uniprot ID:
Q16739
Molecular weight:
44853.255
Enzyme Details
6. Phosphatidylinositol N-acetylglucosaminyltransferase subunit Q
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGQ
Uniprot ID:
Q9BRB3
Molecular weight:
65343.25
Enzyme Details
7. Phosphatidylinositol N-acetylglucosaminyltransferase subunit A
General function:
Involved in biosynthetic process
Specific function:
Necessary for the synthesis of N-acetylglucosaminyl-phosphatidylinositol, the very early intermediate in GPI-anchor biosynthesis.
Gene Name:
PIGA
Uniprot ID:
P37287
Molecular weight:
54126.065
Enzyme Details
8. Phosphatidylinositol N-acetylglucosaminyltransferase subunit H
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGH
Uniprot ID:
Q14442
Molecular weight:
21080.415
Enzyme Details
9. Phosphatidylinositol N-acetylglucosaminyltransferase subunit P
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGP
Uniprot ID:
P57054
Molecular weight:
18089.055
Enzyme Details
10. Phosphatidylinositol N-acetylglucosaminyltransferase subunit C
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGC
Uniprot ID:
Q92535
Molecular weight:
33582.18

Only showing the first 10 proteins. There are 59 proteins in total.

Show all enzymes and transporters