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sodium glycocholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_36273

Term info

Label

sodium glycocholate

Synonyms
  • sodium N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate
  • sodium glycocholate
database cross reference
Subsets

3_STAR

IUPAC NAME
sodium N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate [ IUPAC ]

charge

0

formula

C26H42NNaO6

has obo namespace

chebi_ontology

has related synonym

N-choloylglycine, monosodium salt, glycocholate sodium, monosodium glycocholic acid, glycocholic acid sodium salt, glycocholate sodium salt

id

CHEBI:36273

inchi

InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1

inchikey

OABYVIYXWMZFFJ-ZUHYDKSRSA-M

mass

487.60459

monoisotopicmass

487.29098

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)NCC([O-])=O

Term relations

Subclass of: