sulfoglycochenodeoxycholic acid
A steroid sulfate that is the 3-O-sulfo derivative of glycochenodeoxycholic acid.
Also appears inslm
Exact Synonyms
N-[(3alpha,5beta,7alpha)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine
Related Synonyms
3-sulfo-GCDCA
GCDCS
Glycochenodeoxycholate-3-sulfate
Glycochenodeoxycholate-3-sulphate
class Information
charge
0
formula
C26H43NO8S
has_dbxref
- CAS:67030-54-0
- HMDB:HMDB0002497
- PMID:22882828
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
inchikey
DKXXSIJHWWVNMO-GYPHWSFCSA-N
in_subset
mass
529.68700
monoisotopicmass
529.27094
smiles
[H][C@@]12C[C@@H](CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O)OS(O)(=O)=O