dipalmitoyl phosphatidate (PAMDB120398)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120398
Identification
Name: dipalmitoyl phosphatidate
Description:A 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2−) in which the 1-acyl group is also hexadecanoyl; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • (2R)-2,3-bis(palmitoyloxy)propyl phosphate
  • 1,2-dihexadecanoyl-sn-glycero-3-phosphate
  • 1,2-dipalmitoyl-sn-glycerol-3-phosphate(2−)
  • dipalmitoyl phosphatidate
  • PA(16:0/16:0)
Chemical Formula: C35H67O8P
Average Molecular Weight: 646.883
Monoisotopic Molecular Weight: 648.473
InChI Key: PORPENFLTBBHSG-MGBGTMOVSA-L
InChI:InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-2/t33-/m1/s1
CAS number: Not Available
IUPAC Name:(2R)-2,3-bis(hexadecanoyloxy)propyl phosphate
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(CCCCCCCCCCCCCCC)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains through ester linkages.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Glycerophospholipids
Sub ClassGlycerophosphates
Direct Parent 1,2-diacylglycerol-3-phosphates
Alternative Parents
Substituents
  • 1,2-diacylglycerol-3-phosphate
  • Fatty acid ester
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Organooxygen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • phosphatidate(2-) (CHEBI:77446)
  • a 1,2-diacyl-\u003ci\u003esn\u003c/i\u003e-glycerol-3-phosphate (CPD0-1422)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight646.887 g/molPubChem
XLogP3-AA12.8 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count35 PubChem
Exact Mass646.457 g/molPubChem
Monoisotopic Mass646.457 g/molPubChem
Topological Polar Surface Area125 A^2PubChem
Heavy Atom Count44 PubChem
Formal Charge-2 PubChem
Complexity685 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count1 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
1-palmitoylglycerol 3-phosphate → dipalmitoyl phosphatidate
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    METABOLIGHTSMTBLC72859
    CHEBI72859
    PUBCHEM25201390