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12,13-DiHODE

PropertiesImage
MNX_IDMNXM13983 Image of MNXM13983
referencechebi:88461
formulaC18H32O4
global charge0
mol weight312.45
InChIKeyRGRKFKRAFZJQMS-OOHFSOINSA-N
InChIInChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3,8,10-11,16-17,19-20H,2,4-7,9,12-15H2,1H3,(H,21,22)/b10-3-,11-8-
SMILESCC/C=C\CC(O)C(O)C/C=C\CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3,8,10-11,16-17,19-20H,2,4-7,9,12-15H2,1H3,(H,21,22)/b10-3-,11-8-/t16?,17? Image of MNXM13983
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH: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)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88461
chebi:88461
RGRKFKRAFZJQMS-OOHFSOINSA-N 		12,13-DiHODE
(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoate
(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoic acid
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoate
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoic acid
a-12,13-DiHODE
alpha-12,13-DiHODE
hmdb:HMDB0010201
RGRKFKRAFZJQMS-OOHFSOINSA-N 		12,13-DiHODE
(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoate
(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoic acid
(9Z,15Z)-12,13-Dihydroxyoctadeca-9,15-dienoate
(9Z,15Z)-12,13-Dihydroxyoctadeca-9,15-dienoic acid
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoic acid
a-12,13-DiHODE
alpha-12,13-DiHODE
alpha-12,13-dihode

metacyc.compound:CPD-13092
metacycM:CPD-13092
RGRKFKRAFZJQMS-OOHFSOINSA-M 		12,13-DiHODE
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoate
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoic acid
(9Z,15Z)-12,13-dihydroxyoctadecadienoate

seed.compound:cpd23732
seedM:cpd23732
RGRKFKRAFZJQMS-OOHFSOINSA-M 		12,13-dihydroxyoctadeca-9,15-dienoate
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoate
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoic acid
(9Z,15Z)-12,13-dihydroxyoctadecadienoate
12,13-dihydroxyoctadeca-9,15-dienoic acid

lipidmaps:LMFA02000046
lipidmapsM:LMFA02000046
RGRKFKRAFZJQMS-OOHFSOINSA-N 		alpha-12,13-DiHODE
(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoic acid
FA 18:2
O2

hmdb:HMDB10201
seedM:M_cpd23732 		secondary/obsolete/fantasy identifier