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CHEBI:178192 - avicholate

ChEBI IDCHEBI:178192
ChEBI Nameavicholate
Stars
DefinitionA bile acid anion that is the conjugate base of avicholic acid obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified9 September 2021
SubmitterAdnan
DownloadsMolfile
FormulaC24H39O5
Net Charge-1
Average Mass407.571
Monoisotopic Mass407.28030
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@]([H])([C@H](C)CCC(=O)[O-])[C@H](O)C[C@@]3([H])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H40O5/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16+,17+,18-,19-,21-,22+,23+,24+/m1/s1
InChIKeyPFMAXGIVRQIQPX-JSFQCDATSA-M
ChEBI Ontology
Outgoing Relation(s)
avicholate (CHEBI:178192) is a bile acid anion (CHEBI:36235)
avicholate (CHEBI:178192) is conjugate base of avicholic acid (CHEBI:81261)
Incoming Relation(s)
avicholic acid (CHEBI:81261) is conjugate acid of avicholate (CHEBI:178192)
IUPAC Name 
3α,7α,16α-trihydroxy-5β-cholan-24-oate
Synonyms  Source
avicholic acid(1−)ChEBI
avicholic acid anionChEBI
Citations