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CHEBI:180956 - Chenodeoxycholylglycine

ChEBI IDCHEBI:180956
ChEBI NameChenodeoxycholylglycine
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Last Modified2 March 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43NO5
Net Charge0
Average Mass449.632
Monoisotopic Mass449.31412
SMILESCC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
InChIInChI=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)
InChIKeyGHCZAUBVMUEKKP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Chenodeoxycholylglycine (CHEBI:180956) is a bile acid glycine conjugate (CHEBI:36255)
IUPAC Name 
2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid
Manual XrefsDatabases
25982ChemSpider
HMDB0242392HMDB