Feedback

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

Properties

Image

Occurences in reactions

MNX_ID

MNXM6634

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	11

formula

C₁₈H₃₃O₄

charge

-1

mass

313.23843

reference

chebi:84028

InChIKey

CQSLTKIXAJTQGA-FLIBITNWSA-M

InChI

InChI=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-

SMILES

CCCCCC(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:84028 chebi:84028	12,13-dihydroxy-(9Z)-octadecenoate (9Z)-12,13-dihydroxyoctadec-9-enoate (9Z)-12,13-dihydroxyoctadecenoate 12,13-DiHOME(1-)
metacyc.compound:CPD-13086 metacycM:CPD-13086	(9Z)-12,13-dihydroxyoctadeca-9-enoate (9Z)-12,13-dihydroxyoctadeca-9-enoic acid (9Z)-12,13-dihydroxyoctadecaenoate
lipidmaps:LMFA02000234 lipidmapsM:LMFA02000234	12,13 diHOME-(d4) 12,13-dihydroxy-9Z-octadecenoic acid-(d4)
seed.compound:cpd10526 seedM:cpd10526	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
hmdb:HMDB0004705	12,13-DHOME (-)-threo-12,13-Dihydroxyoleic acid (9Z)-12,13-Dihydroxy-9-octadecenoic acid (9Z,12S,13S)-12,13-Dihydroxy-9-octadecenoic acid (9Z,12S,13S)-12,13-dihydroxyoctadec-9-enoic acid 12,13-DiHOME 12,13-Dihydroxyoleate FA(18:1(9Z,12S,13S)) FA(18:1(9Z,12S-OH,13S-OH))
sabiork.compound:22076 sabiorkM:22076 kegg.compound:C14829 keggC:C14829	12,13-DHOME (9Z)-12,13-Dihydroxyoctadec-9-enoic acid 12,13-DHOA
CHEBI:72665 chebi:72665	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	12,13-DiHOME (9Z)-12,13-Dihydroxyoctadec-9-enoic acid 12,13-dihydroxy-9Z-octadecenoic acid FA 18:1 O2
SLM:000501362 slm:000501362	12,13-dihydroxy-(9Z)-octadecenoate
bigg.metabolite:CE2049 biggM:CE2049	12,13-hydroxyoctadec-9(Z)-enoate
hmdb:HMDB04705 biggM:M_CE2049 keggC:M_C14829 seedM:M_cpd10526	secondary/obsolete/fantasy identifier