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(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate

PropertiesImage
MNX_IDMNXM5375 Image of MNXM5375
referencechebi:63217
formulaC18H31O4
global charge-1
mol weight311.442
InChIKeyCVXOCQUHJDKXHR-JFKQHRMJSA-M
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/p-1/b7-6-,11-9-/t16-,17-/m0/s1
SMILESCCCCC/C=C\C/C=C\[C@H](O)CC[C@@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/b7-6-,11-9-/t16-,17-/m0/s1 Image of MNXM5375
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:11]\[C@@H:16]([CH2:14][CH2:15][C@H:17]([CH2:12][CH2:10][CH2:13][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) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63217
chebi:63217
CVXOCQUHJDKXHR-JFKQHRMJSA-M 		(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate
5(S),8(R)-DiHODE(1-)

metacyc.compound:CPD-13765
metacycM:CPD-13765
CVXOCQUHJDKXHR-JFKQHRMJSA-M 		(5S,8R,9Z,12Z)-5,8-dihydroxy-9,12-octadecadienoate

CHEBI:63216
chebi:63216
CVXOCQUHJDKXHR-JFKQHRMJSA-N 		5(S),8(R)-DiHODE
(5S,8R)-5,8-dihydroxylinoleic acid
(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoic acid

kegg.compound:C20186
keggC:C20186
CVXOCQUHJDKXHR-JFKQHRMJSA-N 		5S,8R-DiHODE
(5S,8R)-DiHODE
(5S,8R,9Z,12Z)-5,8-Dihydroxyoctadeca-9,12-dienoate

seed.compound:cpd21419
seedM:cpd21419
CVXOCQUHJDKXHR-JFKQHRMJSA-M 		5S,8R-DiHODE
(5S,8R)-DiHODE
(5S,8R,9Z,12Z)-5,8-Dihydroxyoctadeca-9,12-dienoate
(5S,8R,9Z,12Z)-5,8-dihydroxy-9,12-octadecadienoate

lipidmaps:LMFA02000284
lipidmapsM:LMFA02000284
CVXOCQUHJDKXHR-JFKQHRMJSA-N 		5S,8R-DiHODE
5S,8R-dihydroxy-9Z,12Z-octadecadienoic acid
FA 18:2
O2

keggC:M_C20186
seedM:M_cpd21419 		secondary/obsolete/fantasy identifier