PE-NMe2(10:0/14:0) (YMDB13692)

Identification
YMDB IDYMDB13692
NamePE-NMe2(10:0/14:0)
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
DescriptionPE-NMe2(10:0/14:0) is a dimethylphosphatidylethanolamine. It is a glycerophospholipid, and is formed by sequential methylation of phosphatidylethanolamine as part of a mechanism for biosynthesis of phosphatidylcholine. Dimethylphosphatidylethanolamines are usually found at trace levels in animal or plant tissues. They can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions.PE-NMe2(10:0/14:0), in particular, consists of one decanoyl chain to the C-1 atom, and one tetradecanoyl to the C-2 atom. Fatty acids containing 16, 18 and 20 carbons are the most common. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling.
Structure
Thumb
MOLSDFPDBSMILESInChI
SynonymsNot Available
CAS numberNot Available
WeightAverage: 607.81
Monoisotopic: 607.421304958
InChI KeyRJTWPTBXARJTBD-UHFFFAOYSA-N
InChIInChI=1S/C31H62NO8P/c1-5-7-9-11-13-14-15-16-18-20-22-24-31(34)40-29(28-39-41(35,36)38-26-25-32(3)4)27-37-30(33)23-21-19-17-12-10-8-6-2/h29H,5-28H2,1-4H3,(H,35,36)
IUPAC Name[3-(decanoyloxy)-2-(tetradecanoyloxy)propoxy][2-(dimethylamino)ethoxy]phosphinic acid
Traditional IUPAC Name3-(decanoyloxy)-2-(tetradecanoyloxy)propoxy(2-(dimethylamino)ethoxy)phosphinic acid
Chemical FormulaC31H62NO8P
SMILES[H]C(COC(=O)CCCCCCCCC)(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC
Chemical Taxonomy
Physical Properties
StateSolid
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility0.00038 g/LALOGPS
logP6.65ALOGPS
logP7.24ChemAxon
logS-6.2ALOGPS
pKa (Strongest Acidic)1.86ChemAxon
pKa (Strongest Basic)9.09ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area111.6 ŲChemAxon
Rotatable Bond Count32ChemAxon
Refractivity164.27 m³·mol⁻¹ChemAxon
Polarizability72.85 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations
  • Endoplasmic reticulum
  • Mitochondria
Organoleptic PropertiesNot Available
SMPDB Pathways
Phosphatidylcholine biosynthesis PC(10:0/14:0)PW002801 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG PathwaysNot Available
SMPDB Reactions
PE-NMe(10:0/14:0) + S-Adenosyl-L-methionine → PE-NMe2(10:0/14:0) + S-Adenosylhomocysteine + hydron
PE-NMe2(10:0/14:0) + S-Adenosyl-L-methionine → S-Adenosylhomocysteine + hydron + PC(10:0/14:0)
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9221101000-17078a2a2063f92f68bdJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9320010000-5e6d208c2962d5fe4e47JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9420110000-de593daaa8e0540c51c9JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0zor-1932012000-c98cac9f914dc441ad15JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0fi0-4911000000-181db8c9e2b9ea2fdfd4JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-01t9-9300000000-39c8596261690b6b788cJSpectraViewer
References
References:
  • Rattray JB, Schibeci A, Kidby DK. (1975). "Lipids of yeasts." Bacteriol Rev. 1975 Sep;39(3):197-231.240350
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound IDNot Available
Kegg IDNot Available
ChemSpider IDNot Available
FOODB IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
1. Methylene-fatty-acyl-phospholipid synthase
General function:
Involved in N-methyltransferase activity
Specific function:
S-adenosyl-L-methionine + phospholipid olefinic fatty acid = S-adenosyl-L-homocysteine + phospholipid methylene fatty acid
Gene Name:
OPI3
Uniprot ID:
P05375
Molecular weight:
23150.09961
Reactions
S-adenosyl-L-methionine + phospholipid olefinic fatty acid → S-adenosyl-L-homocysteine + phospholipid methylene fatty acid.