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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-07-25 00:01:58 UTC

Update Date

2022-03-07 02:51:26 UTC

HMDB ID

HMDB0012508

Secondary Accession Numbers

HMDB12508

Metabolite Identification

Common Name

10-HETE

Description

10-HETE is a HETE(Hydroxyeicosatetraenoic acid)with the hydroxy group located in C-10 position. The HETE metabolites are identified as omega-hydroxy derivatives and 10-HETE is one of the major products of NADPH-dependent arachidonic acid metabolism in rat liver microsomes. The conversion of arachidonic acid to HETE can be catalyzed via lipoxygenase ,cyclooxygenase or P-450 dependent route. [PMID: 7646075 ].

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0012508
     RDKit          3D
10-HETE
 55 54  0  0  0  0  0  0  0  0999 V2000
   -8.1169    1.4235    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9349    0.9571   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5536   -0.4489    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4261   -1.0337   -0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1178   -0.2554   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804   -0.1907    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848   -0.6753    1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527   -1.3858    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5888   -1.7337   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6800   -1.2669   -1.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -0.3543   -1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    0.7631   -0.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -1.1616   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430   -0.9924    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665    0.1162    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    1.1563    1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189    1.3091    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816    0.4789   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2414   -0.1169   -0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    0.9514   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439    0.2858    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6243   -0.9560    0.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6514    1.0590    0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6839    1.8876    1.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6998    2.1991    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7571    0.5742    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1148    1.6891   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3011    0.9959   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -0.4952    1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4272   -1.1453   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6710   -1.0475   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2221   -2.0623   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4812    0.8272   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4178   -0.4128   -1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414    0.3260    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496   -0.5483    2.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -1.0020    0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -2.3890    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -2.4333   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916   -1.5900   -2.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574    0.0885   -2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    1.6410   -0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -2.0533   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.7733    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031   -0.4155    1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    0.4743    1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1255    1.9181    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793    2.1965    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    1.1566   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -0.2769   -1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1556   -0.7091    0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071   -0.7927   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4183    1.5781   -0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961    1.6205    0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6276    2.0450    0.7413 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  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 13 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 23 55  1  0
M  END

  Mrv0541 02251208062D          

 23 22  0  0  0  0            999 V2000
   18.2144  -13.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3894  -13.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9769  -12.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1519  -12.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7394  -11.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9144  -11.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5019  -11.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9144  -10.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5019   -9.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9144   -8.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7394   -8.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1519   -9.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1519   -8.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7394   -7.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9144   -7.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5019   -6.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6769   -6.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2644   -7.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4394   -7.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0269   -8.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2019   -8.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7894   -7.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7894   -8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012508

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b7-6-,9-8-,16-13-,17-14-

> <INCHI_KEY>
ZUOCVLADVGGUGH-OVMCANAPSA-N

> <FORMULA>
C20H32O3

> <MOLECULAR_WEIGHT>
320.4663

> <EXACT_MASS>
320.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
37.976516638140055

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoic acid

> <ALOGPS_LOGP>
5.84

> <JCHEM_LOGP>
5.512267204

> <ALOGPS_LOGS>
-5.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
17.052211833402424

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.819771923097506

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9011626266450277

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
101.31549999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.64e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012508
     RDKit          3D
10-HETE
 55 54  0  0  0  0  0  0  0  0999 V2000
   -8.1169    1.4235    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9349    0.9571   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5536   -0.4489    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4261   -1.0337   -0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1178   -0.2554   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804   -0.1907    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848   -0.6753    1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527   -1.3858    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5888   -1.7337   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6800   -1.2669   -1.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -0.3543   -1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    0.7631   -0.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -1.1616   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430   -0.9924    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665    0.1162    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    1.1563    1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189    1.3091    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816    0.4789   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2414   -0.1169   -0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    0.9514   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439    0.2858    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6243   -0.9560    0.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6514    1.0590    0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6839    1.8876    1.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6998    2.1991    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7571    0.5742    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1148    1.6891   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3011    0.9959   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -0.4952    1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4272   -1.1453   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6710   -1.0475   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2221   -2.0623   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4812    0.8272   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4178   -0.4128   -1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414    0.3260    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496   -0.5483    2.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -1.0020    0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -2.3890    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -2.4333   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916   -1.5900   -2.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574    0.0885   -2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    1.6410   -0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -2.0533   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.7733    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031   -0.4155    1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    0.4743    1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1255    1.9181    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793    2.1965    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    1.1566   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -0.2769   -1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1556   -0.7091    0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071   -0.7927   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4183    1.5781   -0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961    1.6205    0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6276    2.0450    0.7413 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  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 13 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 23 55  1  0
M  END

HEADER    PROTEIN                                 25-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-FEB-12         0                                  
HETATM    1  C   UNK     0      34.000 -24.705   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      32.460 -24.705   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      31.690 -23.371   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      30.150 -23.371   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      29.380 -22.037   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      27.840 -22.037   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      27.070 -20.704   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      27.840 -19.370   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      27.070 -18.036   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      27.840 -16.703   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      29.380 -16.703   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      30.150 -18.036   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      30.150 -15.369   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      29.380 -14.035   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      27.840 -14.035   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      27.070 -12.702   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      25.530 -12.702   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.760 -14.035   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      23.220 -14.035   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      22.450 -15.369   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.910 -15.369   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      20.140 -14.035   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      20.140 -16.703   0.000  0.00  0.00           O+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                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   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   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

COMPND    HMDB0012508
HETATM    1  C1  UNL     1      -8.117   1.423   0.570  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.935   0.957  -0.291  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.554  -0.449   0.058  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.426  -1.034  -0.724  1.00  0.00           C  
HETATM    5  C5  UNL     1      -4.118  -0.255  -0.555  1.00  0.00           C  
HETATM    6  C6  UNL     1      -3.680  -0.191   0.811  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.585  -0.675   1.271  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.553  -1.386   0.575  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.589  -1.734  -0.809  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.680  -1.267  -1.654  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.421  -0.354  -1.185  1.00  0.00           C  
HETATM   12  O1  UNL     1       0.052   0.763  -0.612  1.00  0.00           O  
HETATM   13  C12 UNL     1       1.564  -1.162  -0.880  1.00  0.00           C  
HETATM   14  C13 UNL     1       2.443  -0.992   0.046  1.00  0.00           C  
HETATM   15  C14 UNL     1       2.367   0.116   0.951  1.00  0.00           C  
HETATM   16  C15 UNL     1       3.353   1.156   1.058  1.00  0.00           C  
HETATM   17  C16 UNL     1       4.419   1.309   0.350  1.00  0.00           C  
HETATM   18  C17 UNL     1       4.882   0.479  -0.726  1.00  0.00           C  
HETATM   19  C18 UNL     1       6.241  -0.117  -0.340  1.00  0.00           C  
HETATM   20  C19 UNL     1       7.274   0.951  -0.085  1.00  0.00           C  
HETATM   21  C20 UNL     1       8.544   0.286   0.270  1.00  0.00           C  
HETATM   22  O2  UNL     1       8.624  -0.956   0.317  1.00  0.00           O  
HETATM   23  O3  UNL     1       9.651   1.059   0.551  1.00  0.00           O  
HETATM   24  H1  UNL     1      -7.684   1.888   1.471  1.00  0.00           H  
HETATM   25  H2  UNL     1      -8.700   2.199   0.028  1.00  0.00           H  
HETATM   26  H3  UNL     1      -8.757   0.574   0.869  1.00  0.00           H  
HETATM   27  H4  UNL     1      -6.115   1.689  -0.209  1.00  0.00           H  
HETATM   28  H5  UNL     1      -7.301   0.996  -1.337  1.00  0.00           H  
HETATM   29  H6  UNL     1      -6.284  -0.495   1.156  1.00  0.00           H  
HETATM   30  H7  UNL     1      -7.427  -1.145  -0.076  1.00  0.00           H  
HETATM   31  H8  UNL     1      -5.671  -1.047  -1.823  1.00  0.00           H  
HETATM   32  H9  UNL     1      -5.222  -2.062  -0.382  1.00  0.00           H  
HETATM   33  H10 UNL     1      -4.481   0.827  -0.805  1.00  0.00           H  
HETATM   34  H11 UNL     1      -3.418  -0.413  -1.363  1.00  0.00           H  
HETATM   35  H12 UNL     1      -4.341   0.326   1.555  1.00  0.00           H  
HETATM   36  H13 UNL     1      -2.350  -0.548   2.388  1.00  0.00           H  
HETATM   37  H14 UNL     1      -0.506  -1.002   0.800  1.00  0.00           H  
HETATM   38  H15 UNL     1      -1.469  -2.389   1.158  1.00  0.00           H  
HETATM   39  H16 UNL     1      -2.385  -2.433  -1.181  1.00  0.00           H  
HETATM   40  H17 UNL     1      -0.792  -1.590  -2.680  1.00  0.00           H  
HETATM   41  H18 UNL     1       0.757   0.089  -2.211  1.00  0.00           H  
HETATM   42  H19 UNL     1       0.320   1.641  -0.839  1.00  0.00           H  
HETATM   43  H20 UNL     1       1.708  -2.053  -1.541  1.00  0.00           H  
HETATM   44  H21 UNL     1       3.258  -1.773   0.137  1.00  0.00           H  
HETATM   45  H22 UNL     1       2.503  -0.415   1.996  1.00  0.00           H  
HETATM   46  H23 UNL     1       1.312   0.474   1.164  1.00  0.00           H  
HETATM   47  H24 UNL     1       3.125   1.918   1.882  1.00  0.00           H  
HETATM   48  H25 UNL     1       5.079   2.196   0.582  1.00  0.00           H  
HETATM   49  H26 UNL     1       5.152   1.157  -1.641  1.00  0.00           H  
HETATM   50  H27 UNL     1       4.283  -0.277  -1.183  1.00  0.00           H  
HETATM   51  H28 UNL     1       6.156  -0.709   0.594  1.00  0.00           H  
HETATM   52  H29 UNL     1       6.607  -0.793  -1.116  1.00  0.00           H  
HETATM   53  H30 UNL     1       7.418   1.578  -0.989  1.00  0.00           H  
HETATM   54  H31 UNL     1       6.996   1.620   0.759  1.00  0.00           H  
HETATM   55  H32 UNL     1       9.628   2.045   0.741  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3   27   28
CONECT    3    4   29   30
CONECT    4    5   31   32
CONECT    5    6   33   34
CONECT    6    7    7   35
CONECT    7    8   36
CONECT    8    9   37   38
CONECT    9   10   10   39
CONECT   10   11   40
CONECT   11   12   13   41
CONECT   12   42
CONECT   13   14   14   43
CONECT   14   15   44
CONECT   15   16   45   46
CONECT   16   17   17   47
CONECT   17   18   48
CONECT   18   19   49   50
CONECT   19   20   51   52
CONECT   20   21   53   54
CONECT   21   22   22   23
CONECT   23   55
END

HMDB0012508
     RDKit          3D
10-HETE
 55 54  0  0  0  0  0  0  0  0999 V2000
   -8.1169    1.4235    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9349    0.9571   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5536   -0.4489    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4261   -1.0337   -0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1178   -0.2554   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804   -0.1907    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848   -0.6753    1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527   -1.3858    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5888   -1.7337   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6800   -1.2669   -1.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -0.3543   -1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    0.7631   -0.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -1.1616   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430   -0.9924    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665    0.1162    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    1.1563    1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189    1.3091    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816    0.4789   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2414   -0.1169   -0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    0.9514   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439    0.2858    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6243   -0.9560    0.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6514    1.0590    0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6839    1.8876    1.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6998    2.1991    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7571    0.5742    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1148    1.6891   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3011    0.9959   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -0.4952    1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4272   -1.1453   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6710   -1.0475   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2221   -2.0623   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4812    0.8272   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4178   -0.4128   -1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414    0.3260    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496   -0.5483    2.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -1.0020    0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -2.3890    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -2.4333   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916   -1.5900   -2.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574    0.0885   -2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    1.6410   -0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -2.0533   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.7733    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031   -0.4155    1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    0.4743    1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1255    1.9181    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793    2.1965    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    1.1566   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -0.2769   -1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1556   -0.7091    0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071   -0.7927   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4183    1.5781   -0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961    1.6205    0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6276    2.0450    0.7413 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  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 13 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 23 55  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(5Z,8Z,11Z,14Z)-10-Hydroxyicosatetraenoic acid	ChEBI
10-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate	ChEBI
10-Hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoate	ChEBI
10-Hydroxyarachidonic acid	ChEBI
(5Z,8Z,11Z,14Z)-10-Hydroxyicosatetraenoate	Generator
10-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	Generator
10-Hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoic acid	Generator
10-Hydroxyarachidonate	Generator
10-Hydroxyeicosatetraenoic acid	MeSH
10-Hydroxyeicosatetraenoic acid, (S)-(all-Z)-isomer	MeSH
10-Hydroxyeicosa-all-cis-5,8,11,14-tetraenoate	HMDB
10-Hydroxyeicosa-all-cis-5,8,11,14-tetraenoic acid	HMDB

Chemical Formula

C₂₀H₃₂O₃

Average Molecular Weight

320.4663

Monoisotopic Molecular Weight

320.23514489

IUPAC Name

(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoic acid

Traditional Name

(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoic acid

CAS Registry Number

167697-52-1

SMILES

CCCCC\C=C/C\C=C/C(O)\C=C/C\C=C/CCCC(O)=O

InChI Identifier

InChI=1S/C20H32O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b7-6-,9-8-,16-13-,17-14-

InChI Key

ZUOCVLADVGGUGH-OVMCANAPSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Hydroxyeicosatetraenoic acids

Alternative Parents

Substituents

Hydroxyeicosatetraenoic acid
Long-chain fatty acid
Hydroxy fatty acid
Fatty acid
Unsaturated fatty acid
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0012508)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0012508)

Source

Endogenous

Endogenous (HMDB: HMDB0012508)

Animal

Animal (HMDB: HMDB0012508)

Exogenous

Food

Food (HMDB: HMDB0012508)

Exogenous (HMDB: HMDB0012508)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0012508)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0012508)

Lipid metabolism pathway (HMDB: HMDB0012508)

Cellular process

Cell signaling (HMDB: HMDB0012508)

Biochemical process

Lipid transport (HMDB: HMDB0012508)

Role

Biological role

Energy source (HMDB: HMDB0012508)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0012508)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.0016 g/L	ALOGPS
logP	5.84	ALOGPS
logP	5.51	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	4.82	ChemAxon
pKa (Strongest Basic)	-1.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	101.32 m³·mol⁻¹	ChemAxon
Polarizability	37.98 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	188.095	31661259
DarkChem	[M-H]-	189.466	31661259
DeepCCS	[M+H]+	191.466	30932474
DeepCCS	[M-H]-	189.108	30932474
DeepCCS	[M-2H]-	221.994	30932474
DeepCCS	[M+Na]+	197.559	30932474
AllCCS	[M+H]+	187.0	32859911
AllCCS	[M+H-H2O]+	184.1	32859911
AllCCS	[M+NH4]+	189.7	32859911
AllCCS	[M+Na]+	190.5	32859911
AllCCS	[M-H]-	185.6	32859911
AllCCS	[M+Na-2H]-	187.4	32859911
AllCCS	[M+HCOO]-	189.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
10-HETE	CCCCC\C=C/C\C=C/C(O)\C=C/C\C=C/CCCC(O)=O	4035.2	Standard polar	33892256
10-HETE	CCCCC\C=C/C\C=C/C(O)\C=C/C\C=C/CCCC(O)=O	2301.5	Standard non polar	33892256
10-HETE	CCCCC\C=C/C\C=C/C(O)\C=C/C\C=C/CCCC(O)=O	2507.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
10-HETE,1TMS,isomer #1	CCCCC/C=C\C/C=C\C(/C=C\C/C=C\CCCC(=O)O)O[Si](C)(C)C	2698.3	Semi standard non polar	33892256
10-HETE,1TMS,isomer #2	CCCCC/C=C\C/C=C\C(O)/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C	2561.6	Semi standard non polar	33892256
10-HETE,2TMS,isomer #1	CCCCC/C=C\C/C=C\C(/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2618.6	Semi standard non polar	33892256
10-HETE,1TBDMS,isomer #1	CCCCC/C=C\C/C=C\C(/C=C\C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C	2927.3	Semi standard non polar	33892256
10-HETE,1TBDMS,isomer #2	CCCCC/C=C\C/C=C\C(O)/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C	2812.5	Semi standard non polar	33892256
10-HETE,2TBDMS,isomer #1	CCCCC/C=C\C/C=C\C(/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3107.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 10-HETE GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udv-8793000000-47fc624b790ad674a71c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 10-HETE GC-MS (2 TMS) - 70eV, Positive	splash10-004i-9115300000-d8f77e62dc7e863edb07	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 10-HETE GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 10V, Positive-QTOF	splash10-0udi-0149000000-45b562d03702e99e10d7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 20V, Positive-QTOF	splash10-0kp0-5974000000-7f596198d33bcc0df0e7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 40V, Positive-QTOF	splash10-052f-9530000000-e9af6804eec8404e6210	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 10V, Negative-QTOF	splash10-014i-0019000000-dd216c4c735cd22bb201	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 20V, Negative-QTOF	splash10-0uxr-1349000000-17cb2a2e5823d60f4c34	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 40V, Negative-QTOF	splash10-0a4l-9820000000-8f5fa6787972a8dcf280	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 10V, Positive-QTOF	splash10-0udi-1349000000-0fabd76f4aa55905bfd7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 20V, Positive-QTOF	splash10-0f8i-5942000000-59330d98c96eab8b87c3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 40V, Positive-QTOF	splash10-00nf-9310000000-cd593a1ecc8e5f0d15ba	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 10V, Negative-QTOF	splash10-014i-0009000000-777fdb814292c66079c9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 20V, Negative-QTOF	splash10-0gb9-1319000000-81951b28eb51a860055d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-HETE 40V, Negative-QTOF	splash10-052p-8981000000-99b14680fdab38d83bd7	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029107

KNApSAcK ID

Not Available

Chemspider ID

35032538

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53481450

PDB ID

Not Available

ChEBI ID

134453

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Brash AR, Boeglin WE, Capdevila JH, Yeola S, Blair IA: 7-HETE, 10-HETE, and 13-HETE are major products of NADPH-dependent arachidonic acid metabolism in rat liver microsomes: analysis of their stereochemistry, and the stereochemistry of their acid-catalyzed rearrangement. Arch Biochem Biophys. 1995 Aug 20;321(2):485-92. [PubMed:7646075 ]
Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
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 ]
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 ]
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 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for 10-HETE (HMDB0012508)

MOL for HMDB0012508 (10-HETE)

3D MOL for HMDB0012508 (10-HETE)

3D SDF for HMDB0012508 (10-HETE)

3D-SDF for HMDB0012508 (10-HETE)

PDB for HMDB0012508 (10-HETE)

3D PDB for HMDB0012508 (10-HETE)

SMILES for HMDB0012508 (10-HETE)

INCHI for HMDB0012508 (10-HETE)

Structure for HMDB0012508 (10-HETE)

3D Structure for HMDB0012508 (10-HETE)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra