1,2-diheptadecanoyl-sn-glycero-3-phosphocholine - ≥99% , CAS No.70897-27-7

CAS: 70897-27-7 Cat. No.: D130428 Molecular Weight: 762.092

GRADE & PURITY ≥99%

Synonyms

PC(17:0/17:0)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

228,229

Specifications

Synonyms

PC(17:0/17:0)

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Phosphatidylcholine acylated with two heptadecanoic acids. For use in lipid studies and as internal standard.Phosphatidylcholine is a major source of arachidonic acid.

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504769821
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769821
• Canonical Smiles: CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
• IUPAC Name: [(2R)-2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
• InChIKey: RTWAYAIMWLNAJW-RRHRGVEJSA-N
• INCHI: 1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
• Molecular Weight: 762.092
• Reaxy-Rn: 4072132
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4072132&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphocholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphatidylcholines
• Alternative Parents: Phosphocholines Fatty acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Diacylglycero-3-phosphocholine - Phosphocholine - Choline - Fatty acid ester - Dialkyl phosphate - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.
• External Descriptors: Diacylglycerophosphocholines

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: 762.100 g/mol
• XLogP3: 14.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 42
• Exact Mass: 761.593 Da
• Monoisotopic Mass: 761.593 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 857.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zheng Zhou, Shuang Cui, Bo Wang, Dayong Zhou, Xuhui Huang, Lei Qin.  (2025)  Lipid pro-oxidative reactions mediated by heat, light and microwave and the structural characteristics of their products: Revealed via multi-omics approaches.  FOOD CHEMISTRY,      [PMID:40010188] [10.1016/j.foodchem.2025.143481]

2. Ying Wang, Xinhui Bi, Xuhui Huang, Dongmei Li, Lei Qin, Yuying Zhang.  (2025)  Improving lipidomic coverage for animal matrices by optimizing extraction methods and resuspension solvents based on UHPLC-Q-Exactive Orbitrap MS/MS.  FOOD CHEMISTRY,      [PMID:40267689] [10.1016/j.foodchem.2025.144367]