loading...| Preferred Name | glycocholate | |
| Synonyms |
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate glycocholate |
|
| Definitions |
A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_29746 |
|
| alternative term |
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate glycocholate |
|
| bearer of | ||
| charge |
-1 |
|
| database_cross_reference |
DrugBank:DB02691 Reaxys:3739464 KEGG:C01921 Beilstein:3739464 |
|
| definition |
A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. |
|
| formula |
C26H42NO6 |
|
| has_alternative_id |
CHEBI:14345 CHEBI:24377 CHEBI:58235 |
|
| has_exact_synonym |
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate glycocholate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:29746 |
|
| 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)/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 |
|
| inchikey |
RFDAIACWWDREDC-FRVQLJSFSA-M |
|
| is_conjugate_base_of | ||
| label |
glycocholate |
|
| mass |
464.61482 |
|
| monoisotopicmass |
464.30176 |
|
| notation |
CHEBI:29746 |
|
| prefLabel |
glycocholate |
|
| RO_0000087 | ||
| smiles |
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[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 |