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CHEBI:23614 - deoxycholate

ChEBI IDCHEBI:23614
ChEBI Namedeoxycholate
Stars
Last Modified4 April 2017
DownloadsMolfile
FormulaC24H39O4
Net Charge-1
Average Mass391.572
Monoisotopic Mass391.28538
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)CC[C@@H](O)C2
InChIInChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyKXGVEGMKQFWNSR-LLQZFEROSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
deoxycholate (CHEBI:23614) has role human metabolite (CHEBI:77746)
deoxycholate (CHEBI:23614) is a bile acid anion (CHEBI:36235)
deoxycholate (CHEBI:23614) is a cholanic acid anion (CHEBI:131878)
deoxycholate (CHEBI:23614) is conjugate base of deoxycholic acid (CHEBI:28834)
Incoming Relation(s)
sodium deoxycholate (CHEBI:9177) has part deoxycholate (CHEBI:23614)
deoxycholic acid (CHEBI:28834) is conjugate acid of deoxycholate (CHEBI:23614)
IUPAC Name 
3α,12α-dihydroxy-5β-cholan-24-oate
Synonyms  Source
3α,12α-dihydroxy-5β-cholanateChEBI
DesoxycholatChEBI
UniProt Name  Source
deoxycholateUniProt
Registry NumbersSources
Beilstein:3629953Beilstein
Gmelin:1774558Gmelin