PGP(12:0(3-OH)/19:iso) (PAMDB006559)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB006559
Identification
Name: PGP(12:0(3-OH)/19:iso)
Description:PGP(12:0(3-OH)/19:iso) 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)/19:iso), in particular, consists of one 3-hydroxydodecanoyl chain to the C-1 atom, and one 17-methylocatdecanoyl to the C-2 atom. In Pseudomonas aeruginosa, 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
Thumb
Synonyms:Not Available
Chemical Formula: C37H74O14P2
Average Molecular Weight: 804.933
Monoisotopic Molecular Weight: 804.455381059
InChI Key: CHESALVBLJYTOC-ZYVKZGOESA-N
InChI:InChI=1S/C37H74O14P2/c1-4-5-6-7-15-19-22-25-33(38)27-37(41)47-30-35(31-50-53(45,46)49-29-34(39)28-48-52(42,43)44)51-36(40)26-23-20-17-14-12-10-8-9-11-13-16-18-21-24-32(2)3/h32-35,38-39H,4-31H2,1-3H3,(H,45,46)(H2,42,43,44)/t33?,34-,35+/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCCC(O)CC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCC(C)C
Chemical Taxonomy
Taxonomy DescriptionNot Available
Kingdom Not Available
Super ClassNot Available
Class Not Available
Sub ClassNot Available
Direct Parent Not Available
Alternative Parents Not Available
Substituents Not Available
Molecular Framework Not Available
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
2 CDP-DG(12:0(3-OH)/19:iso) + Glycerol 3-phosphate >2 PGP(12:0(3-OH)/19:iso) + Cytidine monophosphate + Hydrogen ion + Cytidine monophosphate
2 PGP(12:0(3-OH)/19:iso) + Water >2 PG(12:0(3-OH)/19:iso) + Phosphate
SMPDB Pathways:
phospholipid biosynthesis (CL(12:0(3-OH)/19:iso/12:0(3-OH)/19:iso))PW001926 Pw001926Pw001926 greyscalePw001926 simple
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
2 CDP-DG(12:0(3-OH)/19:iso) + Glycerol 3-phosphate >2 PGP(12:0(3-OH)/19:iso) + Cytidine monophosphate + Hydrogen ion + Cytidine monophosphate
2 PGP(12:0(3-OH)/19:iso) + Water >2 PG(12:0(3-OH)/19:iso) + Phosphate
Pathways: Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4r-0890171820-867f15fec93a9f5dbc62View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0541-2960040300-bc8a659b9454993680fcView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-3961011000-83f8b36f5f2e950b6bf9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-002b-4790032120-9772894b82db8d6f471dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004j-9330000000-1dfb331715b2336d5c80View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9010000000-c87873165f411992a25bView in MoNA
References
References:
  • Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink