Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:50:16 UTC
Update Date2022-08-31 17:38:34 UTC
MiMeDB IDMMDBc0030003
Metabolite Identification
Common Name3-Hydroxy-5-oxohexanoyl-CoA
Description3-hydroxy-5-oxohexanoyl-coa belongs to the class of Coenzyme A and Derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine. (inferred from compound structure)
Structure
SynonymsNot Available
Chemical FormulaC27H44N7O19P3S
Average Molecular Weight895.66
Monoisotopic Molecular Weight895.162554393
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C27H44N7O19P3S/c1-14(35)8-15(36)9-18(38)57-7-6-29-17(37)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-16-21(52-54(42,43)44)20(39)26(51-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,36,39-40H,4-11H2,1-3H3,(H,29,37)(H,30,41)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)
InChI KeyLTOOEXBCTAXFSU-UHFFFAOYSA-N