loading...| Preferred Name | taurochenodeoxycholate | |
| Synonyms |
taurochenodeoxycholate(1-) taurochenodeoxycholate anion taurochenodeoxycholate 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate Taurochenodeoxycholate |
|
| Definitions |
An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9407 |
|
| charge |
-1 |
|
| database_cross_reference |
KEGG:C05465 Beilstein:3919127 |
|
| definition |
An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3. |
|
| formula |
C26H44NO6S |
|
| has_alternative_id |
CHEBI:57802 |
|
| has_exact_synonym |
taurochenodeoxycholate 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate Taurochenodeoxycholate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
taurochenodeoxycholate(1-) taurochenodeoxycholate anion |
|
| id |
CHEBI:9407 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 |
|
| inchikey |
BHTRKEVKTKCXOH-BJLOMENOSA-M |
|
| label |
taurochenodeoxycholate |
|
| mass |
498.69670 |
|
| monoisotopicmass |
498.28948 |
|
| notation |
CHEBI:9407 |
|
| preferred label |
taurochenodeoxycholate |
|
| prefLabel |
taurochenodeoxycholate |
|
| 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)NCCS([O-])(=O)=O |
|
| subClassOf |