loading...| Preferred Name |
glycochenodeoxycholic acid |
|
| Synonyms |
GLYCOCHENODEOXYCHOLIC ACID Glycochenodeoxycholic acid [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine Glycochenodeoxycholate chenodeoxycholylglycine chenodeoxyglycocholic acid glycine chenodeoxycholate Chenodeoxyglycocholate GCDCA |
|
| Definitions |
A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36274 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:CHO Wikipedia:Glycochenodeoxycholic_acid Beilstein:3226177 KEGG:C05466 DrugBank:DB02123 MetaCyc:GLYCOCHENODEOXYCHOLIC_ACID PMID:23078175 HMDB:HMDB0006898 PMID:22770225 Reaxys:3226177 CAS:640-79-9 |
|
| definition |
A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component. |
|
| formula |
C26H43NO5 |
|
| has_alternative_id |
CHEBI:41520 CHEBI:3591 CHEBI:5463 |
|
| has_exact_synonym |
GLYCOCHENODEOXYCHOLIC ACID Glycochenodeoxycholic acid [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Glycochenodeoxycholate chenodeoxycholylglycine chenodeoxyglycocholic acid glycine chenodeoxycholate Chenodeoxyglycocholate GCDCA |
|
| id |
CHEBI:36274 |
|
| in_subset | ||
| 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 |
|
| is_conjugate_acid_of | ||
| label |
glycochenodeoxycholic acid |
|
| mass |
449.62336 |
|
| monoisotopicmass |
449.31412 |
|
| notation |
CHEBI:36274 |
|
| prefLabel |
glycochenodeoxycholic acid |
|
| RO_0000087 | ||
| 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 |
|
| subClassOf |