Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:01:10 UTC
Update Date2022-08-12 20:09:27 UTC
MiMeDB IDMMDBc0055645
Metabolite Identification
Common Name7beta-hydroxy-3,12-dioxo-5beta-cholan-24-oic acid
Description
Structure
SynonymsNot Available
Chemical FormulaC24H35O5
Average Molecular Weight403.54
Monoisotopic Molecular Weight403.248997807
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-19,22,26H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,16-,17+,18+,19+,22+,23+,24-/m1/s1
InChI KeyLOGQGKJLNOCUQM-XDFFKFLRSA-M