Terminology Service for NFDI4Health
sulfoglycolithocholic acid
Go to external page
http://purl.obolibrary.org/obo/CHEBI_9347
The 3-O-sulfo derivative of glycolithocholic acid.
Term info
Label
sulfoglycolithocholic acid
Synonyms
- N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycine
Subsets
3_STAR
charge
0
formula
C26H43NO7S
has obo namespace
chebi_ontology
has related synonym
Sulfoglycolithocholate, Glycolithocholic acid sulfate, Sulfolithocholylglycine, Glycolithocholic acid 3-sulfate, glycolithocholate sulfate, Glycolithocholate 3-sulfate
id
CHEBI:9347
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)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
inchikey
FHXBAFXQVZOILS-OETIFKLTSA-N
mass
513.68700
monoisotopicmass
513.27602
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