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4-Oxo-13-cis-retinoate

PropertiesImage
MNX_IDMNXM37697 Image of MNXM37697
referencechebi:197184
formulaC20H26O3
global charge0
mol weight314.425
InChIKeyYOFBBAJVETYSCH-IWRFDTMXSA-N
InChIInChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/b8-6+,11-9+,14-7+,15-13-
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)C(=O)CC1
MNX internals
InChI (mnx)InChI=1/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/b8-6+,11-9+,14-7+,15-13- Image of MNXM37697
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:11]/[C:17]1=[C:16]([CH3:3])[CH2:10][CH2:12][C:18](=[O:21])[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) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:197184
chebi:197184
YOFBBAJVETYSCH-IWRFDTMXSA-N 		4-Oxo-13-cis-retinoate
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
hmdb:HMDB0012789
YOFBBAJVETYSCH-IWRFDTMXSA-N 		4-Oxo-13-cis-retinoate
(2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
3,7-Dimethyl-9-(5-oxo-2,6,6-trimethyl-1-cyclohexenyl)-(2E,4Z,6Z,8Z)-nonatetraen-1-Oate
3,7-Dimethyl-9-(5-oxo-2,6,6-trimethyl-1-cyclohexenyl)-(2E,4Z,6Z,8Z)-nonatetraen-1-Oic acid
4-keto-13-cis-Retinoate
4-keto-13-cis-Retinoic acid
4-oxo-13-cis-Retinoic acid
4-oxo-13-cis-Retinoic acid anion
4O13CVA

bigg.metabolite:CE5654
biggM:CE5654
vmhM:CE5654
vmhmetabolite:CE5654
YOFBBAJVETYSCH-IWRFDTMXSA-M 		4-oxo-13-cis-retinoate

hmdb:HMDB12789
biggM:M_CE5654
vmhM:M_CE5654 		secondary/obsolete/fantasy identifier