Biological and Environmental Research Ontology

Last uploaded: December 23, 2022
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Preferred Name

sodium deoxycholate
Synonyms

sodium 7-deoxycholate

sodium desoxycholate

desoxycholate sodium

deoxycholate sodium

deoxycholic acid sodium salt

Sodium deoxycholate

sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
ID

http://purl.obolibrary.org/obo/CHEBI_9177
alternative term

sodium 7-deoxycholate

sodium desoxycholate

desoxycholate sodium

deoxycholate sodium

deoxycholic acid sodium salt

Sodium deoxycholate

sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
charge

0
database_cross_reference

CAS:302-95-4

Gmelin:1775786

Beilstein:3643164

KEGG:C11171
formula

C24H39O4.Na

C24H39NaO4
has part

http://purl.obolibrary.org/obo/CHEBI_23614
has_exact_synonym

Sodium deoxycholate

sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
has_obo_namespace

chebi_ontology
has_related_synonym

sodium 7-deoxycholate

sodium desoxycholate

desoxycholate sodium

deoxycholate sodium

deoxycholic acid sodium salt
id

CHEBI:9177
in_subset

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

InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
inchikey

FHHPUSMSKHSNKW-SMOYURAASA-M
label

sodium deoxycholate
mass

414.55383
monoisotopicmass

414.27460
notation

CHEBI:9177
overlaps

http://purl.obolibrary.org/obo/CHEBI_23614
prefLabel

sodium deoxycholate
smiles

[Na+].[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([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_36277
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