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3-oxo-5beta-cholan-24-oate

MNXM734586 is deprecated and replaced by MNXM734585

Properties

Image

Occurences in reactions

MNX_ID

MNXM734585

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

formula

C₂₄H₃₇O₃

charge

-1

mass

373.27482

reference

chebi:11867

InChIKey

KIQFUORWRVZTHT-OPTMKGCMSA-M

InChI

InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:11867 chebi:11867	3-oxo-5beta-cholan-24-oate 3-oxo-5beta-cholanate
lipidmaps:LMST04010127 lipidmapsM:LMST04010127	3-Oxo-5beta-cholan-24-oic Acid O3 ST 24:2
sabiork.compound:6434 sabiorkM:6434	3-Oxo-5beta-cholanate
kegg.compound:C03070 keggC:C03070	3-Oxo-5beta-cholanate 3-Oxo-5beta-cholan-24-oate
seed.compound:cpd01967 seedM:cpd01967	3-Oxo-5beta-cholanate 3-dehydrolithocholate 3-ketocholanate 3-ketocholanic acid 3-oxo-5beta-cholan-24-oate 3-oxo-5beta-cholanate
metacyc.compound:3-OXO-5-BETA-CHOLANATE metacycM:3-OXO-5-BETA-CHOLANATE	3-dehydrolithocholate 3-ketocholanate 3-ketocholanic acid 3-oxo-5beta-cholan-24-oate 3-oxo-5beta-cholanate 3-oxocholanate
SLM:000485652 slm:000485652	3-oxo-5beta-cholan-24-oate
CHEBI:17639 chebi:17639	3-oxo-5beta-cholanic acid 3-Oxo-5beta-cholanate 3-ketolithocholic acid 3-oxo-5beta-cholan-24-oic acid 3-oxocholan-24-oic acid
chebi:1623 chebi:20151 chebi:20152 keggC:M_C03070 seedM:M_cpd01967	secondary/obsolete/fantasy identifier