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12,13-DiHODE

Properties

Image

Occurences in reactions

MNX_ID

MNXM13983

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₈H₃₂O₄

charge

mass

312.23006

reference

InChIKey

RGRKFKRAFZJQMS-OOHFSOINSA-N

InChI

InChI=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-

SMILES

CC/C=C\CC(O)C(O)C/C=C\CCCCCCCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88461 chebi:88461	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
metacyc.compound:CPD-13092 metacycM:CPD-13092	(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoate (9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoic acid (9Z,15Z)-12,13-dihydroxyoctadecadienoate
hmdb:HMDB0010201	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
seed.compound:cpd23732 seedM:cpd23732	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	alpha-12,13-DiHODE (+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoic acid FA 18:2 O2
hmdb:HMDB10201 seedM:M_cpd23732	secondary/obsolete/fantasy identifier