Cell Culture Ontology

Last uploaded: July 23, 2014
Jump to:
Preferred Name

taurodeoxycholate
Synonyms

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

taurodeoxycholate
Definitions

An organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid.
ID

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

-1
database_cross_reference

KEGG:C05463

Reaxys:3919126

Beilstein:3919126
definition

An organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid.
formula

C26H44NO6S
has_exact_synonym

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

taurodeoxycholate
has_obo_namespace

chebi_ontology
id

CHEBI:36261
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

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)/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
inchikey

AWDRATDZQPNJFN-VAYUFCLWSA-M
label

taurodeoxycholate
mass

498.69670
monoisotopicmass

498.28948
notation

CHEBI:36261
preferred label

taurodeoxycholate
prefLabel

taurodeoxycholate
smiles

[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
subClassOf

http://purl.obolibrary.org/obo/CHEBI_24431
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display