Microbial Conditions Ontology

Last uploaded: September 4, 2019
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Preferred Name

ursodeoxycholate
Synonyms

391.285

RUDATBOHQWOJDD-UZVSRGJWSA-M

-1

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

C24H39O4

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

391.56460

ursodeoxycholate

(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate
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
database_cross_reference

Reaxys:5305486
has exact synonym

ursodeoxycholate

(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate
has role

http://purl.obolibrary.org/obo/CHEBI_77746
has_obo_namespace

chebi_ontology
has_related_synonym

391.285

RUDATBOHQWOJDD-UZVSRGJWSA-M

-1

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

C24H39O4

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

391.56460
id

CHEBI:78604
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_9907
label

ursodeoxycholate
notation

CHEBI:78604
prefLabel

ursodeoxycholate
textual 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.
subClassOf

http://purl.obolibrary.org/obo/CHEBI_131878
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