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9-cis-4-hydroxyretinoate

PropertiesImage
MNX_IDMNXM1107686 Image of MNXM1107686
referencechebi:139253
formulaC20H27O3
global charge-1
mol weight315.433
InChIKeyKGUMXGDKXYTTEY-NAXRMXIQSA-M
InChIInChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7-,15-13+
SMILESCC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1O
MNX internals
InChI (mnx)InChI=1/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7-,15-13+/t18? Image of MNXM1107686
SMILES (mnx)[CH3:1][C:14](=[CH:7]/[CH:6]=[CH:8]/[C:15]([CH3:2])=[CH:13]/[C:19](=[O:22])[OH:23])/[CH:9]=[CH:10]/[C:17]1=[C:16]([CH3:3])[CH:18]([OH:21])[CH2:11][CH2:12][C:20]1([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:139253
chebi:139253
KGUMXGDKXYTTEY-NAXRMXIQSA-M 		9-cis-4-hydroxyretinoate
(2E,4E,6Z,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate
(9cis)-4-hydroxyretinoate
4-hydroxy-9-cis-retinoate

sabiork.compound:30583
sabiorkM:30583
KGUMXGDKXYTTEY-NAXRMXIQSA-N 		9-cis-4-Hydroxyretinoic acid

lipidmaps:LMPR01090053
lipidmapsM:LMPR01090053
KGUMXGDKXYTTEY-NAXRMXIQSA-N 		9-cis-4-hydroxyretinoic acid

reactome:R-ALL-5362524
reactomeM:R-ALL-5362524
CHEBI:63802
chebi:63802
KGUMXGDKXYTTEY-NAXRMXIQSA-N 		9-cis-4-hydroxyretinoic acid
(9cis)-4-hydroxyretinoic acid
4-hydroxy-9-cis-retinoic acid