CDP-DG(19:iso/14:0) (PAMDB006851)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB006851
Identification
Name: CDP-DG(19:iso/14:0)
Description:CDP-DG(19:iso/14:0) 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(19:iso/14:0), in particular, consists of one 17-methylocatdecanoyl chain to C-1 atom, and one tetradecanoyl 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(19:iso/14:0) is also a substrate of CDP-diacylglycerol pyrophosphatase. It is involved in CDP-diacylglycerol degradation pathway.
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C45H83N3O15P2
Average Molecular Weight: 968.113
Monoisotopic Molecular Weight: 967.529942981
InChI Key: ZGNQNZHVVNLXEP-YXFATQBYSA-N
InChI:InChI=1S/C45H83N3O15P2/c1-4-5-6-7-8-9-13-18-21-24-27-30-41(50)61-37(33-58-40(49)29-26-23-20-17-15-12-10-11-14-16-19-22-25-28-36(2)3)34-59-64(54,55)63-65(56,57)60-35-38-42(51)43(52)44(62-38)48-32-31-39(46)47-45(48)53/h31-32,36-38,42-44,51-52H,4-30,33-35H2,1-3H3,(H,54,55)(H,56,57)(H2,46,47,53)/t37-,38-,42-,43-,44-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O
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 DG(19:iso/14:0/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(19:iso/14:0) + Pyrophosphate
2 CDP-DG(19:iso/14:0) + Glycerol 3-phosphate >2 PGP(19:iso/14:0) + Cytidine monophosphate + Hydrogen ion + Cytidine monophosphate
SMPDB Pathways:
phospholipid biosynthesis (CL(19:iso/14:0/14:0/14:0))PW002005 Pw002005Pw002005 greyscalePw002005 simple
phospholipid biosynthesis (CL(19:iso/14:0/19:iso/14:0))PW002006 Pw002006Pw002006 greyscalePw002006 simple
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
2 DG(19:iso/14:0/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(19:iso/14:0) + Pyrophosphate
Pathways: Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0920000101-4d87a5b13e4f3da92bfbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-1910000000-0b318c306e6a7a027036View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-2921000000-912a59307eed4cb940daView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6s-0790000203-1faf9bbc0151ab9fdd90View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01r2-3692200201-108ddcb3fc525e1a595bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0bvi-5921000000-ac258b211b30c0b1e06eView 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
External Links:
ResourceLink