Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:53:56 UTC
Update Date2022-08-31 06:11:48 UTC
MiMeDB IDMMDBc0000740
Metabolite Identification
Common Name5alpha-Pregnan-3beta,20alpha-diol monosulfate
Description
Structure
SynonymsNot Available
Chemical FormulaC21H36O6S
Average Molecular Weight416.57
Monoisotopic Molecular Weight416.224357213
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C21H36O2.H2O4S/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;1-5(2,3)4/h13-19,22-23H,4-12H2,1-3H3;(H2,1,2,3,4)/p-2/t13?,14-,15-,16-,17+,18-,19-,20-,21+;/m0./s1
InChI KeyJPEAGOXIJHWBGA-PWMJONGKSA-L