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CHEBI:134124 - 1β-hydroxydeoxycholate

ChEBI IDCHEBI:134124
ChEBI Name1β-hydroxydeoxycholate
Stars
ASCII Name1beta-hydroxydeoxycholate
DefinitionA cholanic acid anion, that is the conjugate base of 1β-hydroxydeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified19 April 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC24H39O5
Net Charge-1
Average Mass407.571
Monoisotopic Mass407.28030
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)[O-])[C@@]1(C)[C@H](O)C[C@@H](O)C2
InChIInChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1
InChIKeyDAKYVYUAVGJDRK-FPUZENINSA-M
ChEBI Ontology
Outgoing Relation(s)
1β-hydroxydeoxycholate (CHEBI:134124) is a cholanic acid anion (CHEBI:131878)
IUPAC Name 
1β,3α,12α-trihydroxy-5β-cholan-24-oate
Synonym  Source
(1β,3α,5β,12α)-1,3,12-trihydroxycholan-24-oateIUPAC
UniProt Name  Source
1β-hydroxydeoxycholateUniProt
Citations