Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:37:36 UTC
Update Date2022-08-31 18:11:47 UTC
MiMeDB IDMMDBc0031522
Metabolite Identification
Common Name(S)-3-Hydroxyoctadecanoyl-CoA
Description(s)-3-hydroxyoctadecanoyl-coa belongs to the class of Acyl CoAs. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond. (inferred from compound structure)
Structure
SynonymsNot Available
Chemical FormulaC39H70N7O18P3S
Average Molecular Weight1049.995
Monoisotopic Molecular Weight1049.371088697
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)
InChI KeyWZMAIEGYXCOYSH-UHFFFAOYSA-N