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CHEBI:11893 - 3α,12α-dihydroxy-7-oxo-5β-cholanate

ChEBI IDCHEBI:11893
ChEBI Name3α,12α-dihydroxy-7-oxo-5β-cholanate
Stars
ASCII Name3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
Last Modified26 February 2024
DownloadsMolfile
FormulaC24H37O5
Net Charge-1
Average Mass405.555
Monoisotopic Mass405.26465
SMILES[H][C@]12CC(=O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1
InChIKeyRHCPKKNRWFXMAT-RRWYKFPJSA-M
ChEBI Ontology
Outgoing Relation(s)
3α,12α-dihydroxy-7-oxo-5β-cholanate (CHEBI:11893) is a cholanic acid anion (CHEBI:131878)
3α,12α-dihydroxy-7-oxo-5β-cholanate (CHEBI:11893) is conjugate base of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid (CHEBI:16390)
Incoming Relation(s)
3α,12α-dihydroxy-7-oxo-5β-cholanic acid (CHEBI:16390) is conjugate acid of 3α,12α-dihydroxy-7-oxo-5β-cholanate (CHEBI:11893)
IUPAC Name 
3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate
UniProt Name  Source
3α,12α-dihydroxy-7-oxo-5β-cholanateUniProt