DG(12:0(3-OH)/19:iso/0:0) (PAMDB006878)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB006878
Identification
Name: DG(12:0(3-OH)/19:iso/0:0)
Description:DG(12:0(3-OH)/19:iso/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(12:0(3-OH)/19:iso/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C34H66O6
Average Molecular Weight: 570.896
Monoisotopic Molecular Weight: 570.485939845
InChI Key: FNLASISZIWVGMK-UHFFFAOYSA-N
InChI:InChI=1S/C34H66O6/c1-4-5-6-7-15-19-22-25-31(36)27-34(38)39-29-32(28-35)40-33(37)26-23-20-17-14-12-10-8-9-11-13-16-18-21-24-30(2)3/h30-32,35-36H,4-29H2,1-3H3
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCCC(O)CC(=O)OCC(CO)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 DG(12:0(3-OH)/19:iso/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(12:0(3-OH)/19:iso) + Pyrophosphate
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 DG(12:0(3-OH)/19:iso/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(12:0(3-OH)/19:iso) + Pyrophosphate
Pathways: Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0kna-1391060000-7c37dd70e60c017fdce7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0ff9-3692010000-0a3e2cb9be74d1dd6228View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0570-5960000000-11c5e4ecd45277e25f06View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00kb-0490030000-95b991ae292c128c90b1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00kb-2981000000-1461fb0f210fec75fad4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00kb-4590000000-d57486def189a167a977View 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