loading...| Preferred Name |
glycocholic acid |
|
| Synonyms |
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine GLYCOCHOLIC ACID Glycocholic acid 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine N-choloylglycine 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine |
|
| Definitions |
A bile acid glycine conjugate having cholic acid as the bile acid component. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17687 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:475-31-0 DrugBank:DB02691 Wikipedia:Glycocholic_acid LINCS:LSM-3222 HMDB:HMDB0000138 KNApSAcK:C00030410 Beilstein:2955826 MetaCyc:GLYCOCHOLIC_ACID PMID:22770225 Reaxys:2955826 LIPID_MAPS_instance:LMST05030001 KEGG:C01921 PDBeChem:GCH |
|
| definition |
A bile acid glycine conjugate having cholic acid as the bile acid component. |
|
| formula |
C26H43NO6 |
|
| has_alternative_id |
CHEBI:11894 CHEBI:24378 CHEBI:20215 CHEBI:42804 CHEBI:5464 |
|
| has_exact_synonym |
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine GLYCOCHOLIC ACID Glycocholic acid |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine N-choloylglycine 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine |
|
| id |
CHEBI:17687 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 |
|
| inchikey |
RFDAIACWWDREDC-FRVQLJSFSA-N |
|
| is_conjugate_acid_of | ||
| label |
glycocholic acid |
|
| mass |
465.62270 |
|
| monoisotopicmass |
465.30904 |
|
| notation |
CHEBI:17687 |
|
| prefLabel |
glycocholic acid |
|
| RO_0000087 | ||
| smiles |
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
|
| subClassOf |