glycochenodeoxycholic acid
A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component.
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_alternative_id
has_dbxref
- Beilstein:3226177
- CAS:640-79-9
- DrugBank:DB02123
- HMDB:HMDB0006898
- KEGG:C05466
- MetaCyc:GLYCOCHENODEOXYCHOLIC_ACID
- PDBeChem:CHO
- PMID:22770225
- PMID:23078175
- Reaxys:3226177
- Wikipedia:Glycochenodeoxycholic_acid
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
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
Subclass of
Related from
has functional parent
is conjugate base of