CHEBI:29746 - glycocholate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glycocholate
ChEBI ID CHEBI:29746
Definition A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:24377, CHEBI:14345, CHEBI:58235
Supplier Information ZINC000096014554
Download Molfile XML SDF
Formula C26H42NO6
Net Charge -1
Average Mass 464.61482
Monoisotopic Mass 464.30176
InChI InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChIKey RFDAIACWWDREDC-FRVQLJSFSA-M
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glycocholate (CHEBI:29746) has role human metabolite (CHEBI:77746)
glycocholate (CHEBI:29746) is a N-acylglycinate (CHEBI:57670)
glycocholate (CHEBI:29746) is a cholanic acid conjugate anion (CHEBI:131879)
glycocholate (CHEBI:29746) is conjugate base of glycocholic acid (CHEBI:17687)
Incoming glycocholate 7-sulfate(2−) (CHEBI:172393) has functional parent glycocholate (CHEBI:29746)
sodium glycocholate (CHEBI:36273) has part glycocholate (CHEBI:29746)
glycocholic acid (CHEBI:17687) is conjugate acid of glycocholate (CHEBI:29746)
IUPAC Name
N-(3α,7α,12α-trihydroxy-5β-cholan-24-oyl)glycinate
Synonym Source
glycocholate UniProt
Manual Xrefs Databases
C01921 KEGG COMPOUND
DB02691 DrugBank
View more database links
Registry Number Type Source
3739464 Reaxys Registry Number Reaxys
Last Modified
26 August 2016