P. aeruginosa Metabolome Database: CDP-DG(17:0cycw7c/19:iso) (PAMDB006824)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 12:54:54 PM

Metabolite ID

PAMDB006824

Identification

Name:

CDP-DG(17:0cycw7c/19:iso)

Description:

CDP-DG(17:0cycw7c/19:iso) belongs to the family of CDP-diacylglycerols. It is a glycerophospholipid containing a diacylglycerol, with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms. CDP-DG(17:0cycw7c/19:iso), in particular, consists of one heptadec-9-10-cyclo-anoyl chain to C-1 atom, and one 17-methylocatdecanoyl to the C-2 atom. In Pseudomonas aeruginosa glycerophospholipid metabolism, The biosynthesis of CDP-diacylglycerol (CDP-DG) involves condensation of phosphatidic acid (PA) and cytidine triphosphate, with elimination of pyrophosphate, catalysed by the enzyme CDP-diacylglycerol synthase. The resulting CDP-diacylglycerol can be utilized immediately for the synthesis of phosphatidylglycerol (PG), and thence cardiolipin (CL), and of phosphatidylinositol (PI). CDP-DG(17:0cycw7c/19:iso) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway.

Structure

Synonyms:

Not Available

Chemical Formula:

C₄₈H₈₇N₃O₁₅P₂

Average Molecular Weight:

1008.178

Monoisotopic Molecular Weight:

1007.561243109

InChI Key:

CAXSNACJQOBXBE-OQAXZZHPSA-N

InChI:

InChI=1S/C48H87N3O15P2/c1-4-5-6-22-27-38-33-39-28-23-18-16-20-24-29-43(52)61-34-40(64-44(53)30-25-19-15-13-11-9-7-8-10-12-14-17-21-26-37(2)3)35-62-67(57,58)66-68(59,60)63-36-41(46(55)45(38)54)65-47(39)51-32-31-42(49)50-48(51)56/h31-32,37-41,45-47,54-55H,4-30,33-36H2,1-3H3,(H,57,58)(H,59,60)(H2,49,50,56)/t38?,39?,40-,41-,45+,46-,47-/m1/s1

CAS number:

Not Available

IUPAC Name:

Not Available

Traditional IUPAC Name:

Not Available

SMILES:

CCCCCCC1CC2CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O[C@H]2N2C=CC(N)=NC2=O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC(C)C

Chemical Taxonomy

Taxonomy Description

Not Available

Kingdom

Not Available

Super Class

Not Available

Class

Not Available

Sub Class

Not 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:

Property	Value	Source

Predicted Properties

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

2 DG(17:0cycw7c/19:iso/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(17:0cycw7c/19:iso) + Pyrophosphate
2 CDP-DG(17:0cycw7c/19:iso) + Glycerol 3-phosphate >2 PGP(17:0cycw7c/19:iso) + Cytidine monophosphate + Hydrogen ion + Cytidine monophosphate

SMPDB Pathways:

phospholipid biosynthesis (CL(17:0cycw7c/19:iso/17:0cycw7c/19:iso))

PW001973

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

Pathways:

Not Available

Spectra

Spectra:

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-1800190001-3aee3598c8a50e2778e3	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-0910630012-41e09577c825f5df5c73	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-3901310000-0c993b957cd8b8711df4	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-08fs-2142001209-ddc496baec4ebe1f7357	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-002g-6940212206-1467677ebaa19754d396	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-056r-7920003000-a6f99cdfce2fbed0e809	View in MoNA

References

References:

Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
Uniprot Consortium (2012). "Reorganizing the protein space at the Universal Protein Resource (UniProt)." Nucleic Acids Res 40:D71-D75. Pubmed: 22102590
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

Links

External Links:

Resource	Link