Biological and Environmental Research Ontology

Last uploaded: December 23, 2022
Jump to:
loading...
Preferred Name

sodium taurocholate
Synonyms

taurocholic acid sodium salt

monosodium N-choloyltaurinate

taurocholate sodium

taurocholate sodium salt

sodium taurocholate

sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
ID

http://purl.obolibrary.org/obo/CHEBI_36276
alternative term

taurocholic acid sodium salt

monosodium N-choloyltaurinate

taurocholate sodium

taurocholate sodium salt

sodium taurocholate

sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
charge

0
database_cross_reference

Beilstein:3901620

CAS:145-42-6
formula

C26H44NNaO7S
has part

http://purl.obolibrary.org/obo/CHEBI_36257
has_exact_synonym

sodium taurocholate

sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
has_obo_namespace

chebi_ontology
has_related_synonym

taurocholic acid sodium salt

monosodium N-choloyltaurinate

taurocholate sodium

taurocholate sodium salt
id

CHEBI:36276
in_subset

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

InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
inchikey

JAJWGJBVLPIOOH-IZYKLYLVSA-M
label

sodium taurocholate
mass

537.68587
monoisotopicmass

537.27362
notation

CHEBI:36276
overlaps

http://purl.obolibrary.org/obo/CHEBI_36257
prefLabel

sodium taurocholate
smiles

[Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[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
subClassOf

http://purl.obolibrary.org/obo/CHEBI_22868
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display