Hmdb loader

Showing metabocard for 9,10-Epoxyoctadecenoic acid (HMDB0004701)

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enzymes (24) Show 24 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-14 01:03:56 UTC
Update Date2022-09-22 17:43:53 UTC
HMDB IDHMDB0004701
Secondary Accession Numbers
  • HMDB04701
Metabolite Identification
Common Name9,10-Epoxyoctadecenoic acid
Description9,10-Epoxyoctadecenoic acid (9,10-EOA) is a peroxidation product of linoleic acid (LA). 9,10-EOA is a naturally occurring component of oxidized low density lipoprotein (LDL), the level of which increases with aging, atherosclerosis, and rheumatoid arthritis, perhaps due to an increase in 15-lipoxygenase and free oxygen radicals. 9,10-EOA is a proliferator-activated receptors (PPAR) gamma2 ligand, that is antiosteogenic without stimulating adipocyte differentiation. Studies in dogs suggest that 9,10-EOA has toxic cardiovascular effects. (PMID: 12665667 , 12021203 , 10667371 ).
Structure
Data?1582752313
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0004701 (9,10-Epoxyoctadecenoic acid)


  Mrv1652304202019532D          

 21 21  0  0  0  0            999 V2000
   22.4291  -18.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2720  -20.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5575  -18.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8416  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0165  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5561  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3021  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2706  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9850  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6995  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5876  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4141  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8732  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1285  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8732  -20.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1586  -21.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8430  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1586  -22.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4441  -22.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5575  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4441  -23.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
Download

3D MOL for HMDB0004701 (9,10-Epoxyoctadecenoic acid)

HMDB0004701
     RDKit          3D
9,10-Epoxyoctadecenoic acid
 53 53  0  0  0  0  0  0  0  0999 V2000
   -7.1223    1.0316    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3261   -0.0746   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0790   -0.9221   -0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8898   -0.0688   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6683   -0.9969   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911   -0.2436   -1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055   -0.1205   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846   -0.6991    0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102    0.3724    1.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425   -0.0720    2.9854 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134    0.6417    2.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6397   -0.1459    2.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913   -0.2103    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543    1.1547    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998    1.0263   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    0.1963   -1.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375    0.7818   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370    0.0635   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7078   -1.3263   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6504   -1.8701    0.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8362   -2.1469   -0.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1873    0.8292    1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9370    1.0486    1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0576    1.9961    0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1355   -0.7376    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6436    0.3324   -1.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8263   -1.2972    0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2137   -1.7486   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0734    0.4213   -1.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6474    0.7098   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874   -1.6518   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244   -1.6867   -1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    0.2504   -2.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950    0.4688   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3523   -1.4216    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0718   -1.3055    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313    1.2238    1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356    1.6436    2.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590   -1.2089    2.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.2279    2.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1861   -0.7654    0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980   -0.7329   -0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970    1.6855    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    1.7237    0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    2.0001   -1.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056    0.5114   -1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295   -0.8599   -1.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572    0.3033   -2.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1401    0.9662    0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6258    1.8184   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4758    0.6058    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1937    0.0948   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479   -1.8440   -0.4455 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  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  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  2  0
 19 21  1  0
 11  9  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
 11 38  1  0
 12 39  1  0
 12 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 17 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 21 53  1  0
M  END
Download

3D SDF for HMDB0004701 (9,10-Epoxyoctadecenoic acid)


  Mrv1652304202019532D          

 21 21  0  0  0  0            999 V2000
   22.4291  -18.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2720  -20.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5575  -18.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8416  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0165  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5561  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3021  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2706  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9850  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6995  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5876  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4141  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8732  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1285  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8732  -20.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1586  -21.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8430  -20.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1586  -22.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4441  -22.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5575  -19.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4441  -23.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004701

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCC\C=C/CC1OC1CCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-

> <INCHI_KEY>
FBUKMFOXMZRGRB-YFHOEESVSA-N

> <FORMULA>
C18H32O3

> <MOLECULAR_WEIGHT>
296.4449

> <EXACT_MASS>
296.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
37.219920234338566

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid

> <ALOGPS_LOGP>
6.35

> <JCHEM_LOGP>
5.483879889333333

> <ALOGPS_LOGS>
-5.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.615325352098631

> <JCHEM_PKA_STRONGEST_BASIC>
-4.204825765954202

> <JCHEM_POLAR_SURFACE_AREA>
49.83

> <JCHEM_REFRACTIVITY>
86.92309999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.02e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9,10-epoxyoctadecenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0004701 (9,10-Epoxyoctadecenoic acid)

HMDB0004701
     RDKit          3D
9,10-Epoxyoctadecenoic acid
 53 53  0  0  0  0  0  0  0  0999 V2000
   -7.1223    1.0316    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3261   -0.0746   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0790   -0.9221   -0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8898   -0.0688   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6683   -0.9969   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911   -0.2436   -1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055   -0.1205   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846   -0.6991    0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102    0.3724    1.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425   -0.0720    2.9854 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134    0.6417    2.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6397   -0.1459    2.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913   -0.2103    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543    1.1547    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998    1.0263   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    0.1963   -1.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375    0.7818   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370    0.0635   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7078   -1.3263   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6504   -1.8701    0.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8362   -2.1469   -0.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1873    0.8292    1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9370    1.0486    1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0576    1.9961    0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1355   -0.7376    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6436    0.3324   -1.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8263   -1.2972    0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2137   -1.7486   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0734    0.4213   -1.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6474    0.7098   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874   -1.6518   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244   -1.6867   -1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    0.2504   -2.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950    0.4688   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3523   -1.4216    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0718   -1.3055    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313    1.2238    1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356    1.6436    2.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590   -1.2089    2.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.2279    2.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1861   -0.7654    0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980   -0.7329   -0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970    1.6855    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    1.7237    0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    2.0001   -1.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056    0.5114   -1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295   -0.8599   -1.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572    0.3033   -2.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1401    0.9662    0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6258    1.8184   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4758    0.6058    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1937    0.0948   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479   -1.8440   -0.4455 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  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  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  2  0
 19 21  1  0
 11  9  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
 11 38  1  0
 12 39  1  0
 12 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 17 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 21 53  1  0
M  END
Download

PDB for HMDB0004701 (9,10-Epoxyoctadecenoic acid)

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  O   UNK     0      41.868 -35.315   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      54.641 -37.419   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      53.307 -35.109   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      42.638 -36.649   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      41.097 -36.649   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      43.971 -37.419   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      39.764 -37.419   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      45.305 -36.649   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      46.639 -37.419   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      47.972 -36.649   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      38.430 -36.649   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      49.306 -37.419   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      37.097 -37.419   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      50.640 -36.649   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      37.097 -38.959   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      35.763 -39.729   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      51.974 -37.419   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      35.763 -41.269   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      34.429 -42.039   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      53.307 -36.649   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      34.429 -43.579   0.000  0.00  0.00           C+0
CONECT    1    4    5                                                       
CONECT    2   20                                                            
CONECT    3   20                                                            
CONECT    4    1    5    6                                                  
CONECT    5    1    4    7                                                  
CONECT    6    4    8                                                       
CONECT    7    5   11                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   12                                                       
CONECT   11    7   13                                                       
CONECT   12   10   14                                                       
CONECT   13   11   15                                                       
CONECT   14   12   17                                                       
CONECT   15   13   16                                                       
CONECT   16   15   18                                                       
CONECT   17   14   20                                                       
CONECT   18   16   19                                                       
CONECT   19   18   21                                                       
CONECT   20    2    3   17                                                  
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END
Download

3D PDB for HMDB0004701 (9,10-Epoxyoctadecenoic acid)

COMPND    HMDB0004701
HETATM    1  C1  UNL     1      -7.122   1.032   0.728  1.00  0.00           C  
HETATM    2  C2  UNL     1      -7.326  -0.075  -0.268  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.079  -0.922  -0.376  1.00  0.00           C  
HETATM    4  C4  UNL     1      -4.890  -0.069  -0.832  1.00  0.00           C  
HETATM    5  C5  UNL     1      -3.668  -0.997  -0.917  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.491  -0.244  -1.349  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.405  -0.121  -0.643  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.185  -0.699   0.668  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.910   0.372   1.669  1.00  0.00           C  
HETATM   10  O1  UNL     1      -0.642  -0.072   2.985  1.00  0.00           O  
HETATM   11  C10 UNL     1       0.413   0.642   2.259  1.00  0.00           C  
HETATM   12  C11 UNL     1       1.640  -0.146   2.046  1.00  0.00           C  
HETATM   13  C12 UNL     1       2.191  -0.210   0.672  1.00  0.00           C  
HETATM   14  C13 UNL     1       2.554   1.155   0.119  1.00  0.00           C  
HETATM   15  C14 UNL     1       3.100   1.026  -1.258  1.00  0.00           C  
HETATM   16  C15 UNL     1       4.339   0.196  -1.395  1.00  0.00           C  
HETATM   17  C16 UNL     1       5.438   0.782  -0.574  1.00  0.00           C  
HETATM   18  C17 UNL     1       6.737   0.063  -0.621  1.00  0.00           C  
HETATM   19  C18 UNL     1       6.708  -1.326  -0.162  1.00  0.00           C  
HETATM   20  O2  UNL     1       5.650  -1.870   0.250  1.00  0.00           O  
HETATM   21  O3  UNL     1       7.836  -2.147  -0.145  1.00  0.00           O  
HETATM   22  H1  UNL     1      -6.187   0.829   1.289  1.00  0.00           H  
HETATM   23  H2  UNL     1      -7.937   1.049   1.462  1.00  0.00           H  
HETATM   24  H3  UNL     1      -7.058   1.996   0.163  1.00  0.00           H  
HETATM   25  H4  UNL     1      -8.135  -0.738   0.102  1.00  0.00           H  
HETATM   26  H5  UNL     1      -7.644   0.332  -1.243  1.00  0.00           H  
HETATM   27  H6  UNL     1      -5.826  -1.297   0.637  1.00  0.00           H  
HETATM   28  H7  UNL     1      -6.214  -1.749  -1.083  1.00  0.00           H  
HETATM   29  H8  UNL     1      -5.073   0.421  -1.796  1.00  0.00           H  
HETATM   30  H9  UNL     1      -4.647   0.710  -0.089  1.00  0.00           H  
HETATM   31  H10 UNL     1      -3.587  -1.652  -0.070  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.924  -1.687  -1.792  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.549   0.250  -2.355  1.00  0.00           H  
HETATM   34  H13 UNL     1      -0.595   0.469  -1.079  1.00  0.00           H  
HETATM   35  H14 UNL     1      -0.352  -1.422   0.663  1.00  0.00           H  
HETATM   36  H15 UNL     1      -2.072  -1.306   1.033  1.00  0.00           H  
HETATM   37  H16 UNL     1      -1.631   1.224   1.696  1.00  0.00           H  
HETATM   38  H17 UNL     1       0.536   1.644   2.805  1.00  0.00           H  
HETATM   39  H18 UNL     1       1.459  -1.209   2.410  1.00  0.00           H  
HETATM   40  H19 UNL     1       2.437   0.228   2.747  1.00  0.00           H  
HETATM   41  H20 UNL     1       3.186  -0.765   0.709  1.00  0.00           H  
HETATM   42  H21 UNL     1       1.598  -0.733  -0.061  1.00  0.00           H  
HETATM   43  H22 UNL     1       3.197   1.685   0.826  1.00  0.00           H  
HETATM   44  H23 UNL     1       1.604   1.724   0.052  1.00  0.00           H  
HETATM   45  H24 UNL     1       3.254   2.000  -1.754  1.00  0.00           H  
HETATM   46  H25 UNL     1       2.306   0.511  -1.876  1.00  0.00           H  
HETATM   47  H26 UNL     1       4.130  -0.860  -1.194  1.00  0.00           H  
HETATM   48  H27 UNL     1       4.657   0.303  -2.476  1.00  0.00           H  
HETATM   49  H28 UNL     1       5.140   0.966   0.487  1.00  0.00           H  
HETATM   50  H29 UNL     1       5.626   1.818  -0.984  1.00  0.00           H  
HETATM   51  H30 UNL     1       7.476   0.606   0.016  1.00  0.00           H  
HETATM   52  H31 UNL     1       7.194   0.095  -1.653  1.00  0.00           H  
HETATM   53  H32 UNL     1       8.748  -1.844  -0.445  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   25   26
CONECT    3    4   27   28
CONECT    4    5   29   30
CONECT    5    6   31   32
CONECT    6    7    7   33
CONECT    7    8   34
CONECT    8    9   35   36
CONECT    9   10   11   37
CONECT   10   11
CONECT   11   12   38
CONECT   12   13   39   40
CONECT   13   14   41   42
CONECT   14   15   43   44
CONECT   15   16   45   46
CONECT   16   17   47   48
CONECT   17   18   49   50
CONECT   18   19   51   52
CONECT   19   20   20   21
CONECT   21   53
END
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SMILES for HMDB0004701 (9,10-Epoxyoctadecenoic acid)

CCCCC\C=C/CC1OC1CCCCCCCC(O)=O
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INCHI for HMDB0004701 (9,10-Epoxyoctadecenoic acid)

InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
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View in JSmolView Stereo Labels
Synonyms
ValueSource
9(10)-Epoxyoctadec-12Z-enoic acidChEBI
9,10-EOAChEBI
9,10-Epoxy-12Z-octadecenoic acidChEBI
9,10-Epoxyoctadec-12(Z)-enoic acidChEBI
Coronaric acidChEBI
9(10)-Epoxyoctadec-12Z-enoateGenerator
9,10-Epoxy-12Z-octadecenoateGenerator
9,10-Epoxyoctadec-12(Z)-enoateGenerator
CoronarateGenerator
9,10-EpoxyoctadecenoateGenerator
(+/-)-9(10)-epoxy-12Z-octadecenoateHMDB
(+/-)-9(10)-epoxy-12Z-octadecenoic acidHMDB
9(10)-EpOMEHMDB
9,10-Epoxyoctadecenoic acidChEBI
Chemical FormulaC18H32O3
Average Molecular Weight296.4449
Monoisotopic Molecular Weight296.23514489
IUPAC Name8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid
Traditional Name9,10-epoxyoctadecenoic acid
CAS Registry NumberNot Available
SMILES
CCCCC\C=C/CC1OC1CCCCCCCC(O)=O
InChI Identifier
InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
InChI KeyFBUKMFOXMZRGRB-YFHOEESVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Epoxy fatty acid
  • Heterocyclic fatty acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkyl ether
  • Oxirane
  • Ether
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxide
  • Carbonyl group
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
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 Solubility0.0005 g/LALOGPS
logP6.35ALOGPS
logP5.48ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)4.62ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area49.83 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity86.92 m³·mol⁻¹ChemAxon
Polarizability37.22 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+177.25431661259
DarkChem[M-H]-174.31931661259
DeepCCS[M+H]+177.72330932474
DeepCCS[M-H]-174.02730932474
DeepCCS[M-2H]-210.24830932474
DeepCCS[M+Na]+186.53830932474
AllCCS[M+H]+182.532859911
AllCCS[M+H-H2O]+179.632859911
AllCCS[M+NH4]+185.332859911
AllCCS[M+Na]+186.132859911
AllCCS[M-H]-182.332859911
AllCCS[M+Na-2H]-183.632859911
AllCCS[M+HCOO]-185.232859911

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. 9.46 minutes32390414
Predicted by Siyang on May 30, 202221.8532 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20221.05 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid34.6 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid3000.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid576.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid236.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid310.8 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid588.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid1019.3 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 Acid707.2 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)105.0 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid2034.6 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid600.5 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1860.4 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid754.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid483.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate586.0 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA576.3 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water8.1 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
9,10-Epoxyoctadecenoic acidCCCCC\C=C/CC1OC1CCCCCCCC(O)=O3394.5Standard polar33892256
9,10-Epoxyoctadecenoic acidCCCCC\C=C/CC1OC1CCCCCCCC(O)=O2129.9Standard non polar33892256
9,10-Epoxyoctadecenoic acidCCCCC\C=C/CC1OC1CCCCCCCC(O)=O2298.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
9,10-Epoxyoctadecenoic acid,1TMS,isomer #1CCCCC/C=C\CC1OC1CCCCCCCC(=O)O[Si](C)(C)C2301.1Semi standard non polar33892256
9,10-Epoxyoctadecenoic acid,1TBDMS,isomer #1CCCCC/C=C\CC1OC1CCCCCCCC(=O)O[Si](C)(C)C(C)(C)C2549.1Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.00150 +/- 0.000974 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.00217 +/- 0.00023 uMAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified0.00547 +/- 0.0074 uMAdult (>18 years old)Both
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.00151 +/- 0.00121 uMAdult (>18 years old)Both
Normal
    • John W. Newman, U...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112216
KNApSAcK IDNot Available
Chemspider ID4861048
KEGG Compound IDC14825
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6246154
PDB IDNot Available
ChEBI ID34494
Food Biomarker OntologyNot Available
VMH IDC14825
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Mitchell LA, Grant DF, Melchert RB, Petty NM, Kennedy RH: Linoleic acid metabolites act to increase contractility in isolated rat heart. Cardiovasc Toxicol. 2002;2(3):219-30. [PubMed:12665667 ]
  2. Lecka-Czernik B, Moerman EJ, Grant DF, Lehmann JM, Manolagas SC, Jilka RL: Divergent effects of selective peroxisome proliferator-activated receptor-gamma 2 ligands on adipocyte versus osteoblast differentiation. Endocrinology. 2002 Jun;143(6):2376-84. [PubMed:12021203 ]
  3. Jira W, Spiteller G: Dramatic increase of linoleic acid peroxidation products by aging, atherosclerosis, and rheumatoid arthritis. Adv Exp Med Biol. 1999;469:479-83. [PubMed:10667371 ]

Only showing the first 10 proteins. There are 24 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Cytochrome P450 3A4
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:
CYP3A4
Uniprot ID:
P08684
Molecular weight:
57255.585
Enzyme Details
2. Cytochrome P450 2C9
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.
Gene Name:
CYP2C9
Uniprot ID:
P11712
Molecular weight:
55627.365
Enzyme Details
3. Cytochrome P450 2C19
General function:
Involved in monooxygenase activity
Specific function:
Responsible for the metabolism of a number of therapeutic agents such as the anticonvulsant drug S-mephenytoin, omeprazole, proguanil, certain barbiturates, diazepam, propranolol, citalopram and imipramine.
Gene Name:
CYP2C19
Uniprot ID:
P33261
Molecular weight:
55944.565
Enzyme Details
4. Cytochrome P450 2E1
General function:
Involved in monooxygenase activity
Specific function:
Metabolizes several precarcinogens, drugs, and solvents to reactive metabolites. Inactivates a number of drugs and xenobiotics and also bioactivates many xenobiotic substrates to their hepatotoxic or carcinogenic forms.
Gene Name:
CYP2E1
Uniprot ID:
P05181
Molecular weight:
56848.42
Enzyme Details
5. Cytochrome P450 3A43
General function:
Involved in monooxygenase activity
Specific function:
Exhibits low testosterone 6-beta-hydroxylase activity.
Gene Name:
CYP3A43
Uniprot ID:
Q9HB55
Molecular weight:
57756.285
Enzyme Details
6. Cytochrome P450 1B1
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Participates in the metabolism of an as-yet-unknown biologically active molecule that is a participant in eye development.
Gene Name:
CYP1B1
Uniprot ID:
Q16678
Molecular weight:
60845.33
Enzyme Details
7. Cytochrome P450 2C18
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:
CYP2C18
Uniprot ID:
P33260
Molecular weight:
55710.075
Enzyme Details
8. Cytochrome P450 2F1
General function:
Secondary metabolites biosynthesis, transport and catabolism
Specific function:
May be involved in the metabolism of various pneumotoxicants including naphthalene. Is able to dealkylate ethoxycoumarin, propoxycoumarin, and pentoxyresorufin but possesses no activity toward ethoxyresorufin and only trace dearylation activity toward benzyloxyresorufin. Bioactivates 3-methylindole (3MI) by dehydrogenation to the putative electrophile 3-methylene-indolenine.
Gene Name:
CYP2F1
Uniprot ID:
P24903
Molecular weight:
55500.64
Enzyme Details
9. Cytochrome P450 4X1
General function:
Involved in monooxygenase activity
Specific function:
Not Available
Gene Name:
CYP4X1
Uniprot ID:
Q8N118
Molecular weight:
58874.62
Enzyme Details
10. Cytochrome P450 2B6
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.
Gene Name:
CYP2B6
Uniprot ID:
P20813
Molecular weight:
56277.81

Only showing the first 10 proteins. There are 24 proteins in total.

Show all enzymes and transporters