Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 13:19:12 UTC
Update Date2022-09-01 00:26:11 UTC
Metabolite IDMMDBc0044818
Metabolite Identification
Common NameDG(16:1(9Z)/27:1(9Z)/0:0)
DescriptionDG(16:1(9Z)/27:1(9Z)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(16:1(9Z)/27:1(9Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
SynonymsNot Available
Molecular FormulaC46H86O5
Average Mass719.189
Monoisotopic Mass718.647525869
IUPAC Name(2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (9Z)-heptacos-9-enoate
Traditional Name(2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (9Z)-heptacos-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C46H86O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(49)51-44(42-47)43-50-45(48)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h14,16,26-27,44,47H,3-13,15,17-25,28-43H2,1-2H3/b16-14-,27-26-/t44-/m1/s1
InChI KeyITPWUJNVPBLZFL-YVJUQPPTSA-N