CHEBI:60007 - sulfoglycolithocholate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sulfoglycolithocholate(2−)
ChEBI ID CHEBI:60007
ChEBI ASCII Name sulfoglycolithocholate(2-)
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C26H41NO7S
Net Charge -2
Average Mass 511.67100
Monoisotopic Mass 511.26147
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
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
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sulfoglycolithocholate(2−) (CHEBI:60007) has role human metabolite (CHEBI:77746)
sulfoglycolithocholate(2−) (CHEBI:60007) is a N-acylglycinate (CHEBI:57670)
sulfoglycolithocholate(2−) (CHEBI:60007) is a steroid sulfate oxoanion (CHEBI:59696)
sulfoglycolithocholate(2−) (CHEBI:60007) is a sulfoglycolithocholate anion (CHEBI:132924)
sulfoglycolithocholate(2−) (CHEBI:60007) is conjugate base of sulfoglycolithocholic acid (CHEBI:9347)
Incoming sulfoglycolithocholic acid (CHEBI:9347) is conjugate acid of sulfoglycolithocholate(2−) (CHEBI:60007)
IUPAC Name
N-[3α-(sulfonatooxy)-5β-cholan-24-oyl]glycinate
Synonyms Sources
glycolithocholate sulfate ChEBI
sulfoglycolithocholate UniProt
Last Modified
04 August 2016