loading...| Preferred Name |
cholate |
|
| Synonyms |
cholate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate |
|
| Definitions |
A bile acid anion that is the conjugate base of cholic acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_29747 |
|
| charge |
-1 |
|
| database_cross_reference |
Beilstein:3915750 Reaxys:3915750 |
|
| definition |
A bile acid anion that is the conjugate base of cholic acid. |
|
| formula |
C24H39O5 |
|
| has_alternative_id |
CHEBI:23168 CHEBI:57748 CHEBI:11895 CHEBI:20216 CHEBI:13978 |
|
| has_exact_synonym |
cholate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate |
|
| id |
CHEBI:29747 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
|
| inchikey |
BHQCQFFYRZLCQQ-OELDTZBJSA-M |
|
| label |
cholate |
|
| mass |
407.56346 |
|
| monoisotopicmass |
407.28030 |
|
| notation |
CHEBI:29747 |
|
| prefLabel |
cholate |
|
| 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-])=O |
|
| subClassOf |