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(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate

PropertiesImage
MNX_IDMNXM165311 Image of MNXM165311
referencechebi:57468
formulaC18H31O4
global charge-1
mol weight311.442
InChIKeyNMONGVDUESEHOK-MPOZZNMKSA-M
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/p-1/b7-6-,13-10-/t16-,17-/m0/s1
SMILESCCCCC/C=C\C/C=C\[C@H](O)[C@@H](O)CCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10-/t16-,17-/m0/s1 Image of MNXM165311
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:10]=[CH:13]\[C@@H:16]([C@H:17]([CH2:14][CH2:11][CH2:9][CH2:12][CH2:15][C:18](=[O:21])[OH:22])[OH:20])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57468
chebi:57468
NMONGVDUESEHOK-MPOZZNMKSA-M 		(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoate
7(S),8(S)-DiHODE anion
7(S),8(S)-DiHODE(1-)

seed.compound:cpd04554
seedM:cpd04554
NMONGVDUESEHOK-MPOZZNMKSA-M 		(7S,8S)-DiHODE
(7S,8S,9Z,12Z)-7,8-Dihydroxyoctadeca-9,12-dienoate
(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoate
(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid

kegg.compound:C07354
keggC:C07354
NMONGVDUESEHOK-MPOZZNMKSA-N 		(7S,8S)-DiHODE
(7S,8S,9Z,12Z)-7,8-Dihydroxyoctadeca-9,12-dienoate
(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid

seed.compound:cpd24034
seedM:cpd24034
NMONGVDUESEHOK-MPOZZNMKSA-M 		(7S,8S,9Z,12Z)-7,8-dihydroxy-9,12-octadecadienoate
(9Z,12Z)-(7S,8S)-11-dihydroxyoctadeca-9,12-dienoate

CHEBI:15658
chebi:15658
NMONGVDUESEHOK-MPOZZNMKSA-N 		7(S),8(S)-DiHODE
(7S,8S)-DiHODE
(7S,8S)-dihydroxylinoleic acid
(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoic acid
(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoate
(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid

metacyc.compound:CPD-13766
metacycM:CPD-13766
NMONGVDUESEHOK-MPOZZNMKSA-M 		7(S),8(S)-DiHODE
(7S,8S,9Z,12Z)-7,8-dihydroxy-9,12-octadecadienoate
(9Z,12Z)-(7S,8S)-11-dihydroxyoctadeca-9,12-dienoate

lipidmaps:LMFA02000224
lipidmapsM:LMFA02000224
NMONGVDUESEHOK-MPOZZNMKSA-N 		7S,8S-DiHODE
(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid
7,8-DiHODE
7S,8S-dihydroxy-9Z,12Z-octadecadienoic acid
FA 18:2
O2

chebi:10944
chebi:267
keggC:M_C07354
seedM:M_cpd04554
seedM:M_cpd24034 		secondary/obsolete/fantasy identifier