CHEBI:180956 - Chenodeoxycholylglycine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chenodeoxycholylglycine
ChEBI ID CHEBI:180956
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H43NO5
Net Charge 0
Average Mass 449.632
Monoisotopic Mass 449.31412
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)
InChIKey GHCZAUBVMUEKKP-UHFFFAOYSA-N
SMILES OC1C2C3C(C(CC3)C(CCC(=O)NCC(O)=O)C)(CCC2C4(C(C1)CC(O)CC4)C)C
ChEBI Ontology
Outgoing 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 Xrefs Databases
25982 ChemSpider
HMDB0242392 HMDB
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Last Modified
02 March 2023