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Showing metabocard for (15Z)-tetracosenoate (HMDB0303950)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 05:55:15 UTC
Update Date2021-09-24 05:55:15 UTC
HMDB IDHMDB0303950
Secondary Accession NumbersNone
Metabolite Identification
Common Name(15Z)-tetracosenoate
Description(15z)-tetracosenoate, also known as nervonate or (Z)-15-tetracosenoic acid, is a member of the class of compounds known as very long-chain fatty acids. Very long-chain fatty acids are fatty acids with an aliphatic tail that contains at least 22 carbon atoms (15z)-tetracosenoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (15z)-tetracosenoate can be found in a number of food items such as flaxseed, star fruit, sweet basil, and breadnut tree seed, which makes (15z)-tetracosenoate a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303950 ((15Z)-tetracosenoate)


  Mrv1533007131514022D          

 28 27  0  0  0  0            999 V2000
    2.4237    9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    9.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    7.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    7.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    6.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    3.4618    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5671    4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961    3.4618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27  9  1  0  0  0  0
 28 10  1  0  0  0  0
M  CHG  1  26  -1
M  END
Download

3D MOL for HMDB0303950 ((15Z)-tetracosenoate)

HMDB0303950
     RDKit          3D
(15Z)-tetracosenoate
 71 70  0  0  0  0  0  0  0  0999 V2000
   -7.3967   -4.2637    1.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7089   -3.1464    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7039   -2.0811    0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0920   -0.9503   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9849   -0.2645    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4617    0.8566   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3612    1.6262    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9456    2.7363   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672    3.5417   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    3.6811   -0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413    3.0290   -1.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544    2.0360   -1.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    2.3251   -1.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653    2.7201   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    1.7215    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666    0.3417    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841   -0.0531    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470    0.3750   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3604   -0.1942   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3551   -1.6782   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7510   -2.2507   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3827   -1.8166    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7869   -2.3844    1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089   -1.9504    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8771   -2.4185    0.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3090   -0.9833   -0.6195 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7720   -3.8628    2.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6731   -5.0822    1.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2156   -4.7189    1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9113   -2.7644    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2146   -3.5941    0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4298   -2.5760   -0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2724   -1.7020    1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8519   -0.1763   -0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7159   -1.3020   -1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2168   -1.0018    0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4029    0.1947    1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3157    1.5630   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1092    0.5262   -1.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7742    2.1470    1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930    1.0077    0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8739    3.4090   -0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124    2.3669   -1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0173    4.0938    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373    4.3502   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163    2.5685   -2.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9807    3.9015   -2.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.0876   -1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748    1.6709   -3.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    1.3786   -1.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820    3.0487   -2.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0726    3.6826    0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    2.9512   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978    2.2008    1.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    1.7724    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -0.2038   -0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907   -0.2003    1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -1.1891    0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669    0.2588    1.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765   -0.1347   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720    1.4420   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    0.2432    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9402    0.1953   -1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8079   -2.0940    0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975   -2.0376   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270   -3.3608   -0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   -1.9955   -1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3964   -0.7241    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719   -2.2287    2.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6976   -3.5059    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -2.1600    2.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  3 33  1  0
  4 34  1  0
  4 35  1  0
  5 36  1  0
  5 37  1  0
  6 38  1  0
  6 39  1  0
  7 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 15 55  1  0
 16 56  1  0
 16 57  1  0
 17 58  1  0
 17 59  1  0
 18 60  1  0
 18 61  1  0
 19 62  1  0
 19 63  1  0
 20 64  1  0
 20 65  1  0
 21 66  1  0
 21 67  1  0
 22 68  1  0
 22 69  1  0
 23 70  1  0
 23 71  1  0
M  CHG  1  26  -1
M  END
Download

3D SDF for HMDB0303950 ((15Z)-tetracosenoate)


  Mrv1533007131514022D          

 28 27  0  0  0  0            999 V2000
    2.4237    9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    9.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    7.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    7.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    6.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    3.4618    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5671    4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961    3.4618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27  9  1  0  0  0  0
 28 10  1  0  0  0  0
M  CHG  1  26  -1
M  END
> <DATABASE_ID>
HMDB0303950

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/p-1/b10-9-

> <INCHI_KEY>
GWHCXVQVJPWHRF-KTKRTIGZSA-M

> <FORMULA>
C24H45O2

> <MOLECULAR_WEIGHT>
365.623

> <EXACT_MASS>
365.342504269

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
49.41904824419559

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(15Z)-tetracos-15-enoate

> <ALOGPS_LOGP>
9.62

> <JCHEM_LOGP>
9.451210441

> <ALOGPS_LOGS>
-7.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
125.8453

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.12e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nervonate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0303950 ((15Z)-tetracosenoate)

HMDB0303950
     RDKit          3D
(15Z)-tetracosenoate
 71 70  0  0  0  0  0  0  0  0999 V2000
   -7.3967   -4.2637    1.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7089   -3.1464    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7039   -2.0811    0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0920   -0.9503   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9849   -0.2645    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4617    0.8566   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3612    1.6262    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9456    2.7363   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672    3.5417   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    3.6811   -0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413    3.0290   -1.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544    2.0360   -1.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    2.3251   -1.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653    2.7201   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    1.7215    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666    0.3417    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841   -0.0531    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470    0.3750   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3604   -0.1942   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3551   -1.6782   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7510   -2.2507   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3827   -1.8166    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7869   -2.3844    1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089   -1.9504    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8771   -2.4185    0.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3090   -0.9833   -0.6195 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7720   -3.8628    2.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6731   -5.0822    1.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2156   -4.7189    1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9113   -2.7644    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2146   -3.5941    0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4298   -2.5760   -0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2724   -1.7020    1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8519   -0.1763   -0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7159   -1.3020   -1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2168   -1.0018    0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4029    0.1947    1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3157    1.5630   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1092    0.5262   -1.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7742    2.1470    1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930    1.0077    0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8739    3.4090   -0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124    2.3669   -1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0173    4.0938    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373    4.3502   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163    2.5685   -2.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9807    3.9015   -2.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.0876   -1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748    1.6709   -3.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    1.3786   -1.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820    3.0487   -2.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0726    3.6826    0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    2.9512   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978    2.2008    1.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    1.7724    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -0.2038   -0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907   -0.2003    1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -1.1891    0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669    0.2588    1.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765   -0.1347   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720    1.4420   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    0.2432    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9402    0.1953   -1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8079   -2.0940    0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975   -2.0376   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270   -3.3608   -0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   -1.9955   -1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3964   -0.7241    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719   -2.2287    2.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6976   -3.5059    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -2.1600    2.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  3 33  1  0
  4 34  1  0
  4 35  1  0
  5 36  1  0
  5 37  1  0
  6 38  1  0
  6 39  1  0
  7 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 15 55  1  0
 16 56  1  0
 16 57  1  0
 17 58  1  0
 17 59  1  0
 18 60  1  0
 18 61  1  0
 19 62  1  0
 19 63  1  0
 20 64  1  0
 20 65  1  0
 21 66  1  0
 21 67  1  0
 22 68  1  0
 22 69  1  0
 23 70  1  0
 23 71  1  0
M  CHG  1  26  -1
M  END
Download

PDB for HMDB0303950 ((15Z)-tetracosenoate)

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0       4.524  18.012   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.858  17.242   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.858  15.702   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.192  14.932   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.192  13.392   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.525  12.622   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.525  11.082   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.859  10.312   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.859   8.772   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.193   8.002   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.526   8.772   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.860   8.002   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.194   8.772   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.527   8.002   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.861   8.772   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.195   8.002   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.528   8.772   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      21.862   8.002   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      23.196   8.772   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      24.529   8.002   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      25.863   8.772   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      27.197   8.002   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      28.530   8.772   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      29.864   8.002   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      31.198   8.772   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      29.864   6.462   0.000  0.00  0.00           O-1
HETATM   27  H   UNK     0       8.525   8.002   0.000  0.00  0.00           H+0
HETATM   28  H   UNK     0      11.193   6.462   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
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   27                                                  
CONECT   10    9   11   28                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27    9                                                            
CONECT   28   10                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   54    0
END
Download

3D PDB for HMDB0303950 ((15Z)-tetracosenoate)

COMPND    HMDB0303950
HETATM    1  C1  UNL     1      -7.397  -4.264   1.699  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.709  -3.146   0.932  1.00  0.00           C  
HETATM    3  C3  UNL     1      -7.704  -2.081   0.561  1.00  0.00           C  
HETATM    4  C4  UNL     1      -7.092  -0.950  -0.199  1.00  0.00           C  
HETATM    5  C5  UNL     1      -5.985  -0.265   0.603  1.00  0.00           C  
HETATM    6  C6  UNL     1      -5.462   0.857  -0.258  1.00  0.00           C  
HETATM    7  C7  UNL     1      -4.361   1.626   0.391  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.946   2.736  -0.601  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.867   3.542  -0.079  1.00  0.00           C  
HETATM   10  C10 UNL     1      -1.688   3.681  -0.649  1.00  0.00           C  
HETATM   11  C11 UNL     1      -1.341   3.029  -1.884  1.00  0.00           C  
HETATM   12  C12 UNL     1      -0.254   2.036  -1.964  1.00  0.00           C  
HETATM   13  C13 UNL     1       1.142   2.325  -1.662  1.00  0.00           C  
HETATM   14  C14 UNL     1       1.565   2.720  -0.290  1.00  0.00           C  
HETATM   15  C15 UNL     1       1.228   1.722   0.756  1.00  0.00           C  
HETATM   16  C16 UNL     1       1.667   0.342   0.696  1.00  0.00           C  
HETATM   17  C17 UNL     1       3.084  -0.053   0.721  1.00  0.00           C  
HETATM   18  C18 UNL     1       3.947   0.375  -0.389  1.00  0.00           C  
HETATM   19  C19 UNL     1       5.360  -0.194  -0.203  1.00  0.00           C  
HETATM   20  C20 UNL     1       5.355  -1.678  -0.198  1.00  0.00           C  
HETATM   21  C21 UNL     1       6.751  -2.251  -0.079  1.00  0.00           C  
HETATM   22  C22 UNL     1       7.383  -1.817   1.194  1.00  0.00           C  
HETATM   23  C23 UNL     1       8.787  -2.384   1.336  1.00  0.00           C  
HETATM   24  C24 UNL     1       9.709  -1.950   0.285  1.00  0.00           C  
HETATM   25  O1  UNL     1      10.877  -2.419   0.154  1.00  0.00           O  
HETATM   26  O2  UNL     1       9.309  -0.983  -0.620  1.00  0.00           O1-
HETATM   27  H1  UNL     1      -7.772  -3.863   2.660  1.00  0.00           H  
HETATM   28  H2  UNL     1      -6.673  -5.082   1.927  1.00  0.00           H  
HETATM   29  H3  UNL     1      -8.216  -4.719   1.104  1.00  0.00           H  
HETATM   30  H4  UNL     1      -5.911  -2.764   1.605  1.00  0.00           H  
HETATM   31  H5  UNL     1      -6.215  -3.594   0.050  1.00  0.00           H  
HETATM   32  H6  UNL     1      -8.430  -2.576  -0.148  1.00  0.00           H  
HETATM   33  H7  UNL     1      -8.272  -1.702   1.413  1.00  0.00           H  
HETATM   34  H8  UNL     1      -7.852  -0.176  -0.393  1.00  0.00           H  
HETATM   35  H9  UNL     1      -6.716  -1.302  -1.174  1.00  0.00           H  
HETATM   36  H10 UNL     1      -5.217  -1.002   0.866  1.00  0.00           H  
HETATM   37  H11 UNL     1      -6.403   0.195   1.522  1.00  0.00           H  
HETATM   38  H12 UNL     1      -6.316   1.563  -0.413  1.00  0.00           H  
HETATM   39  H13 UNL     1      -5.109   0.526  -1.247  1.00  0.00           H  
HETATM   40  H14 UNL     1      -4.774   2.147   1.276  1.00  0.00           H  
HETATM   41  H15 UNL     1      -3.493   1.008   0.681  1.00  0.00           H  
HETATM   42  H16 UNL     1      -4.874   3.409  -0.584  1.00  0.00           H  
HETATM   43  H17 UNL     1      -3.912   2.367  -1.612  1.00  0.00           H  
HETATM   44  H18 UNL     1      -3.017   4.094   0.867  1.00  0.00           H  
HETATM   45  H19 UNL     1      -0.937   4.350  -0.188  1.00  0.00           H  
HETATM   46  H20 UNL     1      -2.216   2.569  -2.424  1.00  0.00           H  
HETATM   47  H21 UNL     1      -0.981   3.901  -2.574  1.00  0.00           H  
HETATM   48  H22 UNL     1      -0.614   1.088  -1.426  1.00  0.00           H  
HETATM   49  H23 UNL     1      -0.275   1.671  -3.065  1.00  0.00           H  
HETATM   50  H24 UNL     1       1.746   1.379  -1.893  1.00  0.00           H  
HETATM   51  H25 UNL     1       1.582   3.049  -2.422  1.00  0.00           H  
HETATM   52  H26 UNL     1       1.073   3.683   0.046  1.00  0.00           H  
HETATM   53  H27 UNL     1       2.665   2.951  -0.281  1.00  0.00           H  
HETATM   54  H28 UNL     1       1.598   2.201   1.736  1.00  0.00           H  
HETATM   55  H29 UNL     1       0.094   1.772   0.929  1.00  0.00           H  
HETATM   56  H30 UNL     1       1.200  -0.204  -0.207  1.00  0.00           H  
HETATM   57  H31 UNL     1       1.191  -0.200   1.610  1.00  0.00           H  
HETATM   58  H32 UNL     1       3.101  -1.189   0.850  1.00  0.00           H  
HETATM   59  H33 UNL     1       3.567   0.259   1.719  1.00  0.00           H  
HETATM   60  H34 UNL     1       3.577  -0.135  -1.323  1.00  0.00           H  
HETATM   61  H35 UNL     1       4.072   1.442  -0.517  1.00  0.00           H  
HETATM   62  H36 UNL     1       5.810   0.243   0.714  1.00  0.00           H  
HETATM   63  H37 UNL     1       5.940   0.195  -1.062  1.00  0.00           H  
HETATM   64  H38 UNL     1       4.808  -2.094   0.684  1.00  0.00           H  
HETATM   65  H39 UNL     1       4.898  -2.038  -1.145  1.00  0.00           H  
HETATM   66  H40 UNL     1       6.627  -3.361  -0.089  1.00  0.00           H  
HETATM   67  H41 UNL     1       7.297  -1.996  -1.003  1.00  0.00           H  
HETATM   68  H42 UNL     1       7.396  -0.724   1.357  1.00  0.00           H  
HETATM   69  H43 UNL     1       6.772  -2.229   2.043  1.00  0.00           H  
HETATM   70  H44 UNL     1       8.698  -3.506   1.256  1.00  0.00           H  
HETATM   71  H45 UNL     1       9.127  -2.160   2.357  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3   30   31
CONECT    3    4   32   33
CONECT    4    5   34   35
CONECT    5    6   36   37
CONECT    6    7   38   39
CONECT    7    8   40   41
CONECT    8    9   42   43
CONECT    9   10   10   44
CONECT   10   11   45
CONECT   11   12   46   47
CONECT   12   13   48   49
CONECT   13   14   50   51
CONECT   14   15   52   53
CONECT   15   16   54   55
CONECT   16   17   56   57
CONECT   17   18   58   59
CONECT   18   19   60   61
CONECT   19   20   62   63
CONECT   20   21   64   65
CONECT   21   22   66   67
CONECT   22   23   68   69
CONECT   23   24   70   71
CONECT   24   25   25   26
END
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SMILES for HMDB0303950 ((15Z)-tetracosenoate)

[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC([O-])=O
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INCHI for HMDB0303950 ((15Z)-tetracosenoate)

InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/p-1/b10-9-
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(Z)-15-TetracosenoateChEBI
(Z)-Tetracos-15-enoateChEBI
cis-15-TetracosenoateChEBI
cis-Delta(15)-TetracosenoateChEBI
NervonateChEBI
(Z)-15-Tetracosenoic acidGenerator
(Z)-Tetracos-15-enoic acidGenerator
cis-15-Tetracosenoic acidGenerator
cis-delta(15)-Tetracosenoic acidGenerator
cis-Δ(15)-tetracosenoateGenerator
cis-Δ(15)-tetracosenoic acidGenerator
Nervonic acidGenerator
(15Z)-Tetracosenoic acidGenerator
(15Z)-TetracosenoateChEBI
Chemical FormulaC24H45O2
Average Molecular Weight365.623
Monoisotopic Molecular Weight365.342504269
IUPAC Name(15Z)-tetracos-15-enoate
Traditional Namenervonate
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC([O-])=O
InChI Identifier
InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/p-1/b10-9-
InChI KeyGWHCXVQVJPWHRF-KTKRTIGZSA-M
Chemical Taxonomy
Description Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentVery long-chain fatty acids
Alternative Parents
Substituents
  • Very long-chain fatty acid
  • Unsaturated fatty acid
  • Straight chain fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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
logP9.62ALOGPS
logP9.45ChemAxon
logS-7.6ALOGPS
pKa (Strongest Acidic)4.95ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count21ChemAxon
Refractivity125.85 m³·mol⁻¹ChemAxon
Polarizability49.42 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+207.39332859911
AllCCS[M+H-H2O]+205.01332859911
AllCCS[M+Na]+210.21932859911
AllCCS[M+NH4]+209.5932859911
AllCCS[M-H]-198.63832859911
AllCCS[M+Na-2H]-201.0832859911
AllCCS[M+HCOO]-203.92932859911
DeepCCS[M+H]+204.22330932474
DeepCCS[M-H]-201.86530932474
DeepCCS[M-2H]-234.75230932474
DeepCCS[M+Na]+210.31730932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202233.8159 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20221.93 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid4085.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid1014.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid382.2 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid597.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid792.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid1459.0 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 Acid1271.5 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)111.0 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid3139.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid881.3 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid2558.4 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid1186.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid718.4 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate982.1 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA880.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water8.7 seconds40023050

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (15Z)-tetracosenoate 10V, Negative-QTOFsplash10-014i-0009000000-d2ac37dfa70ae41ce0d82019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (15Z)-tetracosenoate 20V, Negative-QTOFsplash10-01b9-0009000000-ec62118df1d8551ccd582019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (15Z)-tetracosenoate 40V, Negative-QTOFsplash10-014i-4349000000-28a9f10f04b8766488042019-02-23Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDFDB030088
KNApSAcK IDNot Available
Chemspider ID4574386
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID32392
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 ReferencesNot Available