OntologieschebiclassesCHEBI:36274   
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glycochenodeoxycholic acid
http://purl.obolibrary.org/obo/CHEBI_36274

A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component.

Also appears inslmgomco
Exact Synonyms
Glycochenodeoxycholic acid
GLYCOCHENODEOXYCHOLIC ACID
N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine
[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid
Related Synonyms
chenodeoxycholylglycine
Chenodeoxyglycocholate
chenodeoxyglycocholic acid
GCDCA
glycine chenodeoxycholate
Glycochenodeoxycholate
class Information
charge

0

formula

C26H43NO5

has_obo_namespace

chebi_ontology

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)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

inchikey

GHCZAUBVMUEKKP-GYPHWSFCSA-N

in_subset

3_STAR

mass

449.62336

monoisotopicmass

449.31412

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

class Relations