Glycerophospho-N-Palmitoyl Ethanolamine - ≥98% , CAS No.100575-09-5

CAS: 100575-09-5 Cat. No.: G354472 Molecular Weight: 453.55

GRADE & PURITY ≥98%

Synonyms

FIXMIXZULLAMCB-UHFFFAOYSA-N | DTXSID00693936 | Glycerophospho-N-Palmitoyl Ethanolamine | AKOS040756200 | 2,3-Dihydroxypropyl 2-(palmitoylamino)ethyl hydrogen phosphate | CHEBI:143245 | J-000166 | 2,3-dihydroxypropyl 2-(hexadecanoylamino)ethyl hydrogen pho

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Glycerophospho-N-palmitoyl ethanolamine (GP-NPEA) is the metabolic precursor of palmitoyl ethanolamide (PEA). PEA is an endogenous cannabinoid found in liver, brain, and other mammalian tissues, that has potent antiinflammatory activity. PEA has no appreciable affinity for CB1 and low affinity for CB2, suggesting that its efficacy is through a different receptor.

Specifications

Synonyms

FIXMIXZULLAMCB-UHFFFAOYSA-N | DTXSID00693936 | Glycerophospho-N-Palmitoyl Ethanolamine | AKOS040756200 | 2, 3-Dihydroxypropyl 2-(palmitoylamino)ethyl hydrogen phosphate | CHEBI:143245 | J-000166 | 2, 3-dihydroxypropyl 2-(hexadecanoylamino)ethyl hydrogen pho

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OCC(CO)O
• IUPAC Name: 2,3-dihydroxypropyl 2-(hexadecanoylamino)ethyl hydrogen phosphate
• InChIKey: FIXMIXZULLAMCB-UHFFFAOYSA-N
• INCHI: 1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)22-16-17-28-30(26,27)29-19-20(24)18-23/h20,23-24H,2-19H2,1H3,(H,22,25)(H,26,27)
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OCC(CO)O
• Molecular Weight: 453.55
• Reaxy-Rn: 41353993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41353993&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphoethanolamines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphoethanolamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycero-3-phospho-N-acyl-ethanolamines
• Alternative Parents: Phosphoethanolamines Dialkyl phosphates N-acyl amines Secondary carboxylic acid amides Secondary alcohols 1,2-diols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glycero-3-phospho-n-acyl-ethanolamine - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - Fatty acyl - Alkyl phosphate - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Carboxamide group - 1,2-diol - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Alcohol - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glycero-3-phospho-n-acyl-ethanolamines. These are glycerophosphoethanolamines with a n-acylated ethanolamine moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 453.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 22
• Exact Mass: 453.286 Da
• Monoisotopic Mass: 453.286 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 451.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1