loading...| Preferred Name | taurocholic acid | |
| Synonyms |
N-choloyltaurine Choloyl-taurine Cholyltaurine cholic acid taurine conjugate Taurocholate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid Taurocholic acid |
|
| Definitions |
A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28865 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:38552699 CAS:81-24-3 Reaxys:2956951 PMID:38270203 PMID:38666497 HMDB:HMDB0000036 DrugBank:DB04348 LINCS:LSM-5866 PDBeChem:TCH Wikipedia:Taurocholic_acid PMID:11160372 KEGG:C05122 PMID:24412572 PMID:35199809 PMID:24551170 LIPID_MAPS_instance:LMST05040001 |
|
| definition |
A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals. |
|
| formula |
C26H45NO7S |
|
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:9408 CHEBI:45901 CHEBI:26854 CHEBI:3672 |
|
| has_exact_synonym |
2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid Taurocholic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
N-choloyltaurine Choloyl-taurine Cholyltaurine cholic acid taurine conjugate Taurocholate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine |
|
| id |
CHEBI:28865 |
|
| 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)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
|
| inchikey |
WBWWGRHZICKQGZ-HZAMXZRMSA-N |
|
| is conjugate acid of | ||
| label |
taurocholic acid |
|
| mass |
515.70300 |
|
| monoisotopicmass |
515.29167 |
|
| notation |
CHEBI:28865 |
|
| prefLabel |
taurocholic acid |
|
| 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 |
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| treeView | ||
| subClassOf |