Human Interaction Network Ontology

Last uploaded: June 27, 2014
Preferred Name

taurochenodeoxycholate

Synonyms

Taurochenodeoxycholate

2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate

taurochenodeoxycholate

C26H44NO6S

taurochenodeoxycholate anion

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

taurochenodeoxycholate(1-)

[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)NCCS([O-])(=O)=O

InChIKey=BHTRKEVKTKCXOH-BJLOMENOSA-M

Definitions

The conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.

ID

http://purl.obolibrary.org/obo/CHEBI_9407

database_cross_reference

KEGG COMPOUND:C05465

Beilstein:3919127

definition

The conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.

has_alternative_id

CHEBI:57802

has_exact_synonym

Taurochenodeoxycholate

2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate

taurochenodeoxycholate

has_obo_namespace

chebi_ontology

has_related_synonym

C26H44NO6S

taurochenodeoxycholate anion

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

taurochenodeoxycholate(1-)

[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)NCCS([O-])(=O)=O

InChIKey=BHTRKEVKTKCXOH-BJLOMENOSA-M

id

CHEBI:9407

imported from

http://purl.obolibrary.org/obo/chebi.owl

label

taurochenodeoxycholate

notation

CHEBI:9407

prefixIRI

CHEBI:9407

prefLabel

taurochenodeoxycholate

subClassOf

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

http://purl.obolibrary.org/obo/CHEBI_50160

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