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9,13-cis-Retinoic acid

PropertiesImage
MNX_IDMNXM1364382 Image of MNXM1364382
referencechebi:177281
formulaC20H28O2
global charge0
mol weight300.442
InChIKeySHGAZHPCJJPHSC-CDMOMSTLSA-N
InChIInChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14-
SMILESCC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(=O)O)C(C)(C)CCC1
MNX internals
InChI (mnx)InChI=1/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14- Image of MNXM1364382
SMILES (mnx)[CH3:1][C:15](=[CH:8]/[CH:6]=[CH:9]/[C:16]([CH3:2])=[CH:14]\[C:19](=[O:21])[OH:22])/[CH:11]=[CH:12]/[C:18]1=[C:17]([CH3:3])[CH2:10][CH2:7][CH2:13][C:20]1([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177281
chebi:177281
SHGAZHPCJJPHSC-CDMOMSTLSA-N 		9,13-cis-Retinoic acid
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
hmdb:HMDB0012874
SHGAZHPCJJPHSC-CDMOMSTLSA-N 		9,13-cis-Retinoic acid
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-(2E,4Z,6E,8Z)-nonatetraen-1-Oate
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-(2E,4Z,6E,8Z)-nonatetraen-1-Oic acid
9,13-Di-cis-ra
9,13-Di-cis-retinoate
9,13-Retinoic acid
9,13-cis-Retinoate
9,13-cis-Retinoic acid anion
9,13-cis-Vitamin-a-acid
9,13-cis-Vitamin-alpha-acid
9,13-di-cis-retinoic acid
9-cis,13-cis-Retinoate
9-cis,13-cis-Retinoic acid
DcVA

lipidmaps:LMPR01090023
lipidmapsM:LMPR01090023
SHGAZHPCJJPHSC-CDMOMSTLSA-N 		9,13-di-cis-retinoic acid

metacyc.compound:CPD-13549
metacycM:CPD-13549
SHGAZHPCJJPHSC-CDMOMSTLSA-M 		9-cis-retinoate
9-cis-retinoic acid

hmdb:HMDB12874 		secondary/obsolete/fantasy identifier