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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | ursodeoxycholic acid | |
| Synonyms |
Ursodiol 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid Ursodeoxycholate (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid Actigall Ursodeoxycholic acid 3alpha,7beta-dihydroxy-5beta-cholan-24-oic acid |
|
| Definitions |
A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9907 |
|
| charge |
0
|
|
| database_cross_reference |
Reaxys:3219888 LIPID_MAPS_instance:LMST04010033 PMID:17489439 PMID:24816727 Drug_Central:2797 KEGG:C07880 PMID:14989050 LINCS:LSM-6555 KEGG:D00734 HMDB:HMDB0000946 CAS:128-13-2 Wikipedia:Ursodiol DrugBank:DB01586
|
|
| definition |
A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.
|
|
| formula |
C24H40O4
|
|
| has role | ||
| has_exact_synonym |
Ursodeoxycholic acid 3alpha,7beta-dihydroxy-5beta-cholan-24-oic acid
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|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Ursodiol 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid Ursodeoxycholate (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid Actigall
|
|
| id |
CHEBI:9907
|
|
| 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)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
|
|
| inchikey |
RUDATBOHQWOJDD-UZVSRGJWSA-N
|
|
| is conjugate acid of | ||
| label |
ursodeoxycholic acid
|
|
| mass |
392.57200
|
|
| monoisotopicmass |
392.29266
|
|
| notation |
CHEBI:9907
|
|
| prefLabel |
ursodeoxycholic acid
|
|
| smiles |
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](O)C2)[C@H](C)CCC(O)=O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_131620 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_131620 |
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