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all-trans-4-oxoretinoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM6902

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	9

formula

C₂₀H₂₅O₃

charge

-1

mass

313.18092

reference

InChIKey

GGCUJPCCTQNTJF-FRCNGJHJSA-M

InChI

InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7+,15-13+

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134186 chebi:134186	all-trans-4-oxoretinoate 15-oxido-4-oxoretinal 4-oxo-all-trans-retinoate 4-oxo-atRA 4-oxoretinoate
hmdb:HMDB0006285	4-oxo-Retinoic acid (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid 4-Keto-retinoate 4-Keto-retinoic acid 4-Ketoretinoate 4-Ketoretinoic acid 4-Oxoretinoate 4-Oxoretinoic acid 4-Oxoretinoic acid, (13-cis)-isomer 4-Oxotretinoin 4-oxo-13-cis-Retinoic acid 4-oxo-AtRA 4-oxo-Isotretinoin 4-oxo-Retinoate 4-oxo-all-trans-Retinoate 4-oxo-all-trans-Retinoic acid 4-oxo-retinoic acid 4-oxo-trans-Retinoic acid Ro 11-4824 Ro 12-4824 all-trans-4-Oxoretinoate all-trans-4-Oxoretinoic acid
bigg.metabolite:oretn biggM:oretn	4-oxo-retonoic acid
seed.compound:cpd16476 seedM:cpd16476 kegg.compound:C16678 keggC:C16678	all-trans-4-Oxoretinoic acid
lipidmaps:LMPR01090026 lipidmapsM:LMPR01090026	all-trans-4-oxoretinoic acid
CHEBI:80656 chebi:80656	all-trans-4-oxoretinoic acid 4-oxo-all-trans-retinoic acid 4-oxo-atRA 4-oxoretinoic acid
hmdb:HMDB06285 biggM:M_oretn keggC:M_C16678 seedM:M_cpd16476	secondary/obsolete/fantasy identifier