BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

taurodeoxycholic acid
Synonyms
Definitions

A bile acid taurine conjugate that has formula C26H45NO6S.

ID

http://purl.obolibrary.org/obo/CHEBI_9410

alternative term

[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2

Taurodeoxycholate

taurodeoxycholic acid

2-[(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid

C26H45NO6S

InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1

InChIKey=AWDRATDZQPNJFN-VAYUFCLWSA-N

definition

A bile acid taurine conjugate that has formula C26H45NO6S.

has functional parent

http://purl.obolibrary.org/obo/CHEBI_28834

is conjugate acid of

http://purl.obolibrary.org/obo/CHEBI_36261

label

taurodeoxycholic acid

prefixIRI

CHEBI:9410

prefLabel

taurodeoxycholic acid

subClassOf

http://purl.obolibrary.org/obo/CHEBI_23219

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