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CHEBI:60008 - glycolithocholate

Default Structure
ChEBI IDCHEBI:60008
ChEBI Nameglycolithocholate
Stars
DefinitionA N-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3.
Last Modified18 September 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H42NO4
Net Charge-1
Average Mass432.625
Monoisotopic Mass432.31193
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCC(=O)[O-])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKeyXBSQTYHEGZTYJE-OETIFKLTSA-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)
glycolithocholate (CHEBI:60008) has role human metabolite (CHEBI:77746)
glycolithocholate (CHEBI:60008) is a N-acylglycinate (CHEBI:57670)
glycolithocholate (CHEBI:60008) is conjugate base of glycolithocholic acid (CHEBI:37998)
Incoming Relation(s)
glycolithocholic acid (CHEBI:37998) is conjugate acid of glycolithocholate (CHEBI:60008)
IUPAC Name 
N-(3α-hydroxy-5β-cholan-24-oyl)glycinate
UniProt Name  Source
glycolithocholateUniProt