EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133176 - glycohyocholic acid

ChEBI IDCHEBI:133176
ChEBI Nameglycohyocholic acid
Stars
DefinitionA bile acid glycine conjugate having hyocholic acid as the bile acid component.
Last Modified26 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC26H43NO6
Net Charge0
Average Mass465.631
Monoisotopic Mass465.30904
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)NCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14-,15-,16-,17+,18+,19+,22+,23-,24+,25-,26-/m1/s1
InChIKeyZQYUKJFJPJDMMR-ZDWCHQGWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (27458508)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
glycohyocholic acid (CHEBI:133176) has functional parent hyocholic acid (CHEBI:81244)
glycohyocholic acid (CHEBI:133176) has role human metabolite (CHEBI:77746)
glycohyocholic acid (CHEBI:133176) is a bile acid glycine conjugate (CHEBI:36255)
glycohyocholic acid (CHEBI:133176) is conjugate acid of glycohyocholate (CHEBI:133177)
Incoming Relation(s)
glycohyocholate (CHEBI:133177) is conjugate base of glycohyocholic acid (CHEBI:133176)
IUPAC Name 
N-(3α,6α,7α-trihydroxy-5β-cholan-24-oyl)glycine
Synonyms  Source
hyocholic acid-glycine conjugateChEBI
N-hyocholoylglycineChEBI
N-[(3α,5β,6α,7α)-3,6,7-trihydroxy-24-oxocholan-24-yl]glycineIUBMB
Citations