Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 02:13:05 UTC
Update Date2022-08-31 18:41:06 UTC
Metabolite IDMMDBc0032357
Metabolite Identification
Common NamePGP(12:0(3-OH)/17:0cycw7c)
DescriptionPGP(12:0(3-OH)/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(12:0(3-OH)/17:0cycw7c), in particular, consists of one 3-hydroxydodecanoyl 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 FormulaC35H68O14P2
Average Mass774.863
Monoisotopic Mass774.408430866
IUPAC Name[(2R)-3-({[(2R)-2-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-3-[(3-hydroxydodecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
Traditional Name(2R)-3-{[(2R)-2-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-3-[(3-hydroxydodecanoyl)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)CC(O)CCCCCCCCC)OC(=O)CCCCCCCC1CC1CCCCCC
InChI Identifier
InChI=1S/C35H68O14P2/c1-3-5-7-9-10-13-17-21-31(36)24-35(39)45-27-33(28-48-51(43,44)47-26-32(37)25-46-50(40,41)42)49-34(38)22-18-14-11-12-16-20-30-23-29(30)19-15-8-6-4-2/h29-33,36-37H,3-28H2,1-2H3,(H,43,44)(H2,40,41,42)/t29?,30?,31?,32-,33-/m1/s1
InChI KeyOTXTYBBKHAGJBO-CDWAUKDPSA-N