Tetradecanoyl-phosphate (n-C14:0) (PAMDB001692)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB001692
Identification
Name: Tetradecanoyl-phosphate (n-C14:0)
Description:Tetradecanoyl-phosphate (n-c14:0) belongs to the class of Acyl Phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH. (inferred from compound structure)
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • Tetradecanoyl-phosphoric acid (N-C14:0)
Chemical Formula: C14H27O5P
Average Molecular Weight: 306.3349
Monoisotopic Molecular Weight: 306.159610486
InChI Key: DHVWLJIFQPFPFX-UHFFFAOYSA-L
InChI:InChI=1S/C14H29O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)19-20(16,17)18/h2-13H2,1H3,(H2,16,17,18)/p-2
CAS number: Not Available
IUPAC Name:(tetradecanoyloxy)phosphonate
Traditional IUPAC Name: tetradecanoyloxyphosphonate
SMILES:CCCCCCCCCCCCCC(=O)OP([O-])([O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as organic phosphoric acids. These are organic compounds containing phosphoric acid, with the general structure OP(O)(=O)O.
Kingdom Organic compounds
Super ClassOrganophosphorus compounds
Class Organic phosphoric acids and derivatives
Sub ClassOrganic phosphoric acids
Direct Parent Organic phosphoric acids
Alternative Parents
Substituents
  • Organic phosphate
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.014 mg/mLALOGPS
logP4.93ALOGPS
logP4.71ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)1.23ChemAxon
pKa (Strongest Basic)-7.4ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area89.49 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity76.8 m3·mol-1ChemAxon
Polarizability34.1 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
Hydrogen ion + Myristoyl-ACP (n-C14:0ACP) + Phosphate > acyl carrier protein + Tetradecanoyl-phosphate (n-C14:0)
Water + Tetradecanoyl-phosphate (n-C14:0) >2 Hydrogen ion + Phosphate + tetradecanoate (n-C14:0)
Glycerol 3-phosphate + Tetradecanoyl-phosphate (n-C14:0) > 1-Tetradecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate
Pathways: Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4j-0697000000-bb968b06d87425cd9e4eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-3931000000-e5550c4997ce106d2892View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9600000000-8d2027734611f0883776View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0019000000-1ec8d6ee75f1a6a8945eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-2369000000-7f0fc1a7d0ed2a3fcb99View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-bf7df9da47b5a8a6389fView in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound IDNot Available
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
• Phosphate acyltransferase
General function:
Involved in catalytic activity
Specific function:
Catalyzes the reversible formation of acyl-phosphate (acyl-PO(4)) from acyl-[acyl-carrier-protein] (acyl-ACP). This enzyme utilizes acyl-ACP as fatty acyl donor, but not acyl-CoA
Gene Name:
plsX
Locus Tag:
PA2969
Molecular weight:
34.6 kDa
Reactions
Acyl-[acyl-carrier-protein] + phosphate = acyl-phosphate + [acyl-carrier-protein].
Protein Details
• Acyl carrier protein
General function:
Involved in fatty acid biosynthetic process
Specific function:
Carrier of the growing fatty acid chain in fatty acid biosynthesis
Gene Name:
acpP
Locus Tag:
PA2966
Molecular weight:
8.7 kDa