loading...| Preferred Name |
taurocholate |
|
| Synonyms |
taurocholate 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate |
|
| Definitions |
An organosulfonate oxoanion that is the conjugate base of taurocholic acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36257 |
|
| charge |
-1 |
|
| database_cross_reference |
Reaxys:3919947 Beilstein:3919947 |
|
| definition |
An organosulfonate oxoanion that is the conjugate base of taurocholic acid. |
|
| formula |
C26H44NO7S |
|
| has_exact_synonym |
taurocholate 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:36257 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
|
| inchikey |
WBWWGRHZICKQGZ-HZAMXZRMSA-M |
|
| is_conjugate_base_of | ||
| label |
taurocholate |
|
| mass |
514.69610 |
|
| monoisotopicmass |
514.28440 |
|
| notation |
CHEBI:36257 |
|
| prefLabel |
taurocholate |
|
| 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)NCCS([O-])(=O)=O |
|
| subClassOf |