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9,13-dihydroxy-12-ethoxy-10-octadecenoic acid

PropertiesImage
MNX_IDMNXM28652 Image of MNXM28652
referencechebi:185291
formulaC20H38O5
global charge0
mol weight358.519
InChIKeyIEEBTNFNSJRPDT-FOCLMDBBSA-N
InChIInChI=1S/C20H38O5/c1-3-5-9-13-18(22)19(25-4-2)16-15-17(21)12-10-7-6-8-11-14-20(23)24/h15-19,21-22H,3-14H2,1-2H3,(H,23,24)/b16-15+
SMILESCCCCCC(O)C(/C=C/C(O)CCCCCCCC(=O)O)OCC
MNX internals
InChI (mnx)InChI=1/C20H38O5/c1-3-5-9-13-18(22)19(25-4-2)16-15-17(21)12-10-7-6-8-11-14-20(23)24/h15-19,21-22H,3-14H2,1-2H3,(H,23,24)/b16-15+/t17?,18?,19? Image of MNXM28652
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:9][CH2:13][CH:18]([CH:19](/[CH:16]=[CH:15]/[CH:17]([CH2:12][CH2:10][CH2:7][CH2:6][CH2:8][CH2:11][CH2:14][C:20](=[O:23])[OH:24])[OH:21])[O:25][CH2:4][CH3:2])[OH:22]
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:185291
chebi:185291
IEEBTNFNSJRPDT-FOCLMDBBSA-N
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
(E)-12-ethoxy-9,13-dihydroxyoctadec-10-enoic acid

lipidmaps:LMFA01050122
lipidmapsM:LMFA01050122
IEEBTNFNSJRPDT-FOCLMDBBSA-N
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
FA 20:1
O3