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The Drug Ontology
Last uploaded:
December 20, 2024
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| Id | http://purl.obolibrary.org/obo/CHEBI_29747
http://purl.obolibrary.org/obo/CHEBI_29747
|
|---|---|
| Preferred Name | cholate |
| Definitions |
A bile acid anion that is the conjugate base of cholic acid.
|
| Synonyms |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
cholate
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A bile acid anion that is the conjugate base of cholic acid. |
|---|---|
| label |
cholate
|
| prefLabel |
cholate
|
| database_cross_reference |
Reaxys:3915750
|
| notation |
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
|
| has_related_synonym |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
|
| id |
CHEBI:29747
|
| charge |
-1
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C24H39O5
|
| subClassOf | |
| is conjugate base of | |
| inchikey |
BHQCQFFYRZLCQQ-OELDTZBJSA-M
|
| mass |
407.56346
|
| monoisotopicmass |
407.28030
|
| has_alternative_id |
CHEBI:11895
CHEBI:57748
CHEBI:20216
CHEBI:23168
CHEBI:13978
|
| type | |
| 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
|
| has role | |
| has_exact_synonym |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
cholate
|
| has characteristic | |
| alternative label |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
cholate
|
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