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12,13-dihydroxy-(9Z)-octadecenoate

PropertiesImage
MNX_IDMNXM1370724 Image of MNXM1370724
referencechebi:84028
formulaC18H33O4
global charge-1
mol weight313.458
InChIKeyCQSLTKIXAJTQGA-FLIBITNWSA-M
InChIInChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/p-1/b11-8-
SMILESCCCCCC(O)C(O)C/C=C\CCCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-/t16?,17? Image of MNXM1370724
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:10][CH2:13][CH:16]([CH:17]([CH2:14]/[CH:11]=[CH:8]\[CH2:6][CH2:4][CH2:5][CH2:7][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)7
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84028
chebi:84028
CQSLTKIXAJTQGA-FLIBITNWSA-M 		12,13-dihydroxy-(9Z)-octadecenoate
(9Z)-12,13-dihydroxyoctadec-9-enoate
(9Z)-12,13-dihydroxyoctadecenoate
12,13-DiHOME(1-)

lipidmaps:LMFA02000234
lipidmapsM:LMFA02000234
CQSLTKIXAJTQGA-FLIBITNWSA-N 		12,13 diHOME-(d4)
12,13-dihydroxy-9Z-octadecenoic acid-(d4)

seed.compound:cpd10526
seedM:cpd10526
CQSLTKIXAJTQGA-FLIBITNWSA-M 		12,13-DHOA
(9Z)-12,13-Dihydroxyoctadec-9-enoic acid
(9Z)-12,13-dihydroxyoctadeca-9-enoate
(9Z)-12,13-dihydroxyoctadeca-9-enoic acid
(9Z)-12,13-dihydroxyoctadecaenoate
12,13-DHOME
12,13-dihydroxyoctadeca-9-enoate
12,13-dihydroxyoctadeca-9-enoic acid

sabiork.compound:22076
sabiorkM:22076
kegg.compound:C14829
keggC:C14829
CQSLTKIXAJTQGA-FLIBITNWSA-N 		12,13-DHOME
(9Z)-12,13-Dihydroxyoctadec-9-enoic acid
12,13-DHOA

metacyc.compound:CPD-13086
metacycM:CPD-13086
CQSLTKIXAJTQGA-FLIBITNWSA-M 		12,13-DiHOME
(+/-)12,13-DHOA
(+/-)12,13-DiHOME
(9Z)-12,13-dihydroxyoctadec-9-enoate
(9Z)-12,13-dihydroxyoctadeca-9-enoate
(9Z)-12,13-dihydroxyoctadeca-9-enoic acid
(9Z)-12,13-dihydroxyoctadecaenoate
(9Z)-12,13-dihydroxyoctadecenoate
12,13-dihydroxy-(9Z)-octadecenoate

CHEBI:72665
chebi:72665
CQSLTKIXAJTQGA-FLIBITNWSA-N 		12,13-DiHOME
(9Z)-12,13-Dihydroxyoctadec-9-enoic acid
(9Z)-12,13-dihydroxyoctadec-9-enoic acid
12,13-DHOA
12,13-DHOME
12,13-dihydroxy-9Z-octadecenoic acid
Isoleukotoxin

lipidmaps:LMFA02000230
lipidmapsM:LMFA02000230
CQSLTKIXAJTQGA-FLIBITNWSA-N 		12,13-DiHOME
(9Z)-12,13-Dihydroxyoctadec-9-enoic acid
12,13-dihydroxy-9Z-octadecenoic acid
FA 18:1
O2

SLM:000501362
slm:000501362
CQSLTKIXAJTQGA-FLIBITNWSA-M 		12,13-dihydroxy-(9Z)-octadecenoate

bigg.metabolite:CE2049
biggM:CE2049
CQSLTKIXAJTQGA-FLIBITNWSA-M 		12,13-hydroxyoctadec-9(Z)-enoate

biggM:M_CE2049
keggC:M_C14829
seedM:M_cpd10526 		secondary/obsolete/fantasy identifier