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sulfoglycolithocholate(2-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_60007

A steroid sulfate oxoanion and N-acylglycinate that is the dianion of sulfoglycolithocholic acid arising from deprotonation of carboxylic acid and sulfate functions; major species at pH 7.3.

Term info

Label

sulfoglycolithocholate(2-)

Synonyms
  • N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycinate
Subsets

3_STAR

IUPAC NAME
N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycinate [ IUPAC ]

charge

-2

formula

C26H41NO7S

has obo namespace

chebi_ontology

has related synonym

sulfoglycolithocholate, glycolithocholate sulfate

id

CHEBI:60007

inchi

InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-2/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1

inchikey

FHXBAFXQVZOILS-OETIFKLTSA-L

mass

511.67100

monoisotopicmass

511.26147

smiles

[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O