Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 21:49:48 UTC
Update Date2022-09-01 02:14:10 UTC
MiMeDB IDMMDBc0048061
Metabolite Identification
Common Name3-Dehydrocholic acid; 3oxo-7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid
Description
Structure
SynonymsNot Available
Chemical FormulaC24H38O5
Average Molecular Weight406.563
Monoisotopic Molecular Weight406.271924324
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C24H38O5/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/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChI KeyOEKUSRBIIZNLHZ-DJDNIQJZSA-N