Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 02:15:17 UTC
Update Date2022-08-31 18:41:56 UTC
Metabolite IDMMDBc0032411
Metabolite Identification
Common NamePGP(16:1(9Z)/17:0cycw7c)
DescriptionPGP(16:1(9Z)/17:0cycw7c) belongs to the class of glycerophosphoglycerophosphates, also called phosphatidylglycerophosphates (PGPs). These lipids contain a common glycerophosphate skeleton linked to at least one fatty acyl chain and a glycero-3-phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PGP(16:1(9Z)/17:0cycw7c), in particular, consists of one 9Z-hexadecenoyl chain to the C-1 atom, and one heptadec-9-10-cyclo-anoyl to the C-2 atom. In E. coli, PGPs can be found in the cytoplasmic membrane. The are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to Phosphatidylglycerols (PGs) by the enzyme Phosphatidylglycerophosphatase.
Structure
SynonymsNot Available
Molecular FormulaC39H74O13P2
Average Mass812.956
Monoisotopic Mass812.460466439
IUPAC Name[(2R)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-{[8-(2-hexylcyclopropyl)octanoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
Traditional Name(2R)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-{[8-(2-hexylcyclopropyl)octanoyl]oxy}propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCC1CC1CCCCCC
InChI Identifier
InChI=1S/C39H74O13P2/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(41)48-32-37(33-51-54(46,47)50-31-36(40)30-49-53(43,44)45)52-39(42)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h11-12,34-37,40H,3-10,13-33H2,1-2H3,(H,46,47)(H2,43,44,45)/b12-11-/t34?,35?,36-,37-/m1/s1
InChI KeyWVWIAPDLFVTOEI-ROKAYYDNSA-N