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9,12,13,TriHODE

PropertiesImage
MNX_IDMNXM102255 Image of MNXM102255
referencechebi:165803
formulaC18H32O5
global charge0
mol weight328.449
InChIKeyMKYUCBXUUSZMQB-NMABCHCUSA-N
InChIInChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3+,14-13+
SMILESCC/C=C/CC(O)C(O)/C=C/C(O)CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3+,14-13+/t15?,16?,17? Image of MNXM102255
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:7]/[CH2:11][CH:16]([CH:17](/[CH:14]=[CH:13]/[CH:15]([CH2:10][CH2:8][CH2:5][CH2:4][CH2:6][CH2:9][CH2:12][C:18](=[O:22])[OH:23])[OH:19])[OH:21])[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:165803
chebi:165803
MKYUCBXUUSZMQB-NMABCHCUSA-N 		9,12,13,TriHODE
(10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid

lipidmaps:LMFA02000220
lipidmapsM:LMFA02000220
MKYUCBXUUSZMQB-NMABCHCUSA-N 		9,12,13,TriHODE
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-
9,12,13-trihydroxy-10,15-octadecadienoic acid
FA 18:2
O3