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3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoate

PropertiesImage
MNX_IDMNXM728925 Image of MNXM728925
referencebiggM:CE5319
formulaC18H27O4
global charge-1
mol weight307.41
InChIKeyDASVGFACDRAZQR-CKBRMXFCSA-M
InChIInChI=1S/C18H28O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-10,13,16,19H,2-5,11-12,14-15H2,1H3,(H,21,22)/p-1/b8-7+,9-6-,13-10+/t16-/m0/s1
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C/CCC(=O)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H28O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-10,13,16,19H,2-5,11-12,14-15H2,1H3,(H,21,22)/b8-7+,9-6-,13-10+/t16-/m0/s1 Image of MNXM728925
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]\[CH2:12][C@@H:16](/[CH:13]=[CH:10]/[CH:7]=[CH:8]/[CH2:11][CH2:14][C:17]([CH2:15][C:18](=[O:21])[OH:22])=[O:20])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5319
biggM:CE5319
vmhM:CE5319
vmhmetabolite:CE5319
DASVGFACDRAZQR-CKBRMXFCSA-M 		3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoate
hmdb:HMDB0062359
DASVGFACDRAZQR-CKBRMXFCSA-N 		(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadeca-6,8,12-trienoate
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadeca-6,8,12-trienoic acid
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoate
(6E,8E,10S,12Z)-10-hydroxy-3-oxooctadeca-6,8,12-trienoic acid
10S-Hydroxy-3-oxooctadeca-6E,8E,12Z-trienoate
10S-Hydroxy-3-oxooctadeca-6E,8E,12Z-trienoic acid
3-Oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoate
3-Oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoic acid
3-Oxo-10(S)-hydroxyoctadeca-6E,8E,12Z-trienoate
3-Oxo-10(S)-hydroxyoctadeca-6E,8E,12Z-trienoic acid

vmhM:CE5307
vmhmetabolite:CE5307
DASVGFACDRAZQR-XSZZXUNXSA-M 		3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoate

hmdb:HMDB62359
biggM:M_CE5319
vmhM:M_CE5307
vmhM:M_CE5319 		secondary/obsolete/fantasy identifier