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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_9177
http://purl.obolibrary.org/obo/CHEBI_9177
|
|---|---|
| Preferred Name | sodium deoxycholate |
| Synonyms |
deoxycholate sodium
deoxycholic acid sodium salt
sodium 7-deoxycholate
desoxycholate sodium
sodium desoxycholate
Sodium deoxycholate
sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
sodium deoxycholate
|
|---|---|
| prefLabel |
sodium deoxycholate
|
| database_cross_reference |
Gmelin:1775786
CAS:302-95-4
Beilstein:3643164
KEGG:C11171
|
| notation |
CHEBI:9177
|
| in_subset | |
| inchi |
InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
|
| has_related_synonym |
deoxycholate sodium
deoxycholic acid sodium salt
sodium 7-deoxycholate
desoxycholate sodium
sodium desoxycholate
|
| id |
CHEBI:9177
|
| has part | |
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C24H39NaO4
C24H39O4.Na
|
| subClassOf | |
| inchikey |
FHHPUSMSKHSNKW-SMOYURAASA-M
|
| mass |
414.55383
|
| monoisotopicmass |
414.27460
|
| type | |
| smiles |
[Na+].[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
|
| has_exact_synonym |
Sodium deoxycholate
sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
|
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