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4-oxo-13-cis-retinoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM37697

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₂₀H₂₅O₃

charge

-1

mass

313.18092

reference

InChIKey

YOFBBAJVETYSCH-IWRFDTMXSA-M

InChI

InChI=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)/p-1/b8-6+,11-9+,14-7+,15-13-

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)[O-])C(C)(C)C(=O)CC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE5654 biggM:CE5654	4-oxo-13-cis-retinoate
hmdb:HMDB0012789	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
hmdb:HMDB12789 biggM:M_CE5654	secondary/obsolete/fantasy identifier