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Cell Culture Ontology
Last uploaded:
July 23, 2014
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| Preferred Name | ursodeoxycholate | |
| Synonyms |
(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate ursodeoxycholate |
|
| Definitions |
A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_78604 |
|
| charge |
-1
|
|
| database_cross_reference |
Reaxys:5305486
|
|
| definition |
A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
|
|
| formula |
C24H39O4
|
|
| has_exact_synonym |
(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate ursodeoxycholate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:78604
|
|
| in_subset | ||
| inchi |
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
|
|
| inchikey |
RUDATBOHQWOJDD-UZVSRGJWSA-M
|
|
| label |
ursodeoxycholate
|
|
| mass |
391.56460
|
|
| monoisotopicmass |
391.28538
|
|
| notation |
CHEBI:78604
|
|
| preferred label |
ursodeoxycholate
|
|
| prefLabel |
ursodeoxycholate
|
|
| smiles |
C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
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| subClassOf |
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