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CHEBI:11867 - 3-oxo-5β-cholanate

Default Structure
ChEBI IDCHEBI:11867
ChEBI Name3-oxo-5β-cholanate
Stars
ASCII Name3-oxo-5beta-cholanate
Last Modified29 February 2012
DownloadsMolfile
FormulaC24H37O3
Net Charge-1
Average Mass373.557
Monoisotopic Mass373.27482
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)[O-])[C@@]1(C)CCC(=O)C2
InChIInChI=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
InChIKeyKIQFUORWRVZTHT-OPTMKGCMSA-M
ChEBI Ontology
Outgoing Relation(s)
3-oxo-5β-cholanate (CHEBI:11867) is a bile acid anion (CHEBI:36235)
3-oxo-5β-cholanate (CHEBI:11867) is conjugate base of 3-oxo-5β-cholanic acid (CHEBI:17639)
Incoming Relation(s)
3-oxo-5β-cholanic acid (CHEBI:17639) is conjugate acid of 3-oxo-5β-cholanate (CHEBI:11867)
IUPAC Name 
3-oxo-5β-cholan-24-oate
UniProt Name  Source
3-oxo-5β-cholan-24-oateUniProt