Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 00:51:11 UTC
Update Date2022-08-31 18:11:26 UTC
Metabolite IDMMDBc0031490
Metabolite Identification
Common NamePG(16:0/19:iso)
DescriptionPG(16:0/19:iso) is a phosphatidylglycerol. Phosphatidylglycerols consist of a glycerol 3-phosphate backbone esterified to either saturated or unsaturated fatty acids on carbons 1 and 2. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PG(16:0/19:iso), in particular, consists of one hexadecanoyl chain to the C-1 atom, and one 17-methylocatdecanoyl to the C-2 atom. In E. coli glycerophospholipid metabolism, phosphatidylglycerol is formed from phosphatidic acid (1,2-diacyl-sn-glycerol 3-phosphate) by a sequence of enzymatic reactions that proceeds via two intermediates, cytidine diphosphate diacylglycerol (CDP-diacylglycerol) and phosphatidylglycerophosphate (PGP, a phosphorylated phosphatidylglycerol). Phosphatidylglycerols, along with CDP-diacylglycerol, also serve as precursor molecules for the synthesis of cardiolipin, a phospholipid found in membranes.
Structure
SynonymsNot Available
Molecular FormulaC41H81O10P
Average Mass765.0496
Monoisotopic Mass764.556735324
IUPAC Name(2,3-dihydroxypropoxy)[3-(hexadecanoyloxy)-2-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid
Traditional Name2,3-dihydroxypropoxy(3-(hexadecanoyloxy)-2-[(17-methyloctadecanoyl)oxy]propoxy)phosphinic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCCC(C)C
InChI Identifier
InChI=1S/C41H81O10P/c1-4-5-6-7-8-9-10-12-16-19-22-25-28-31-40(44)48-35-39(36-50-52(46,47)49-34-38(43)33-42)51-41(45)32-29-26-23-20-17-14-11-13-15-18-21-24-27-30-37(2)3/h37-39,42-43H,4-36H2,1-3H3,(H,46,47)
InChI KeyDKYYKBFTJDCTBP-UHFFFAOYSA-N