CHEBI:36252 - glycochenodeoxycholate

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ChEBI Name glycochenodeoxycholate
ChEBI ID CHEBI:36252
Definition A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Rafael Alc�ntara
Secondary ChEBI IDs CHEBI:58664, CHEBI:59452
Supplier Information No supplier information found for this compound.
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Formula C26H42NO5
Net Charge -1
Average Mass 448.61542
Monoisotopic Mass 448.30685
InChI InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChIKey GHCZAUBVMUEKKP-GYPHWSFCSA-M
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[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 glycochenodeoxycholate (CHEBI:36252) has role human metabolite (CHEBI:77746)
glycochenodeoxycholate (CHEBI:36252) is a N-acylglycinate (CHEBI:57670)
glycochenodeoxycholate (CHEBI:36252) is a cholanic acid conjugate anion (CHEBI:131879)
glycochenodeoxycholate (CHEBI:36252) is conjugate base of glycochenodeoxycholic acid (CHEBI:36274)
Incoming sodium glycochenodeoxycholate (CHEBI:87818) has part glycochenodeoxycholate (CHEBI:36252)
glycochenodeoxycholic acid (CHEBI:36274) is conjugate acid of glycochenodeoxycholate (CHEBI:36252)
IUPAC Name
N-(3α,7α-dihydroxy-5β-cholan-24-oyl)glycinate
Synonym Source
glycochenodeoxycholate UniProt
Registry Number Type Source
3730023 Reaxys Registry Number Reaxys
Last Modified
22 January 2016