L-α-Phosphatidylcholine - egg yolk, Type XIII-E, 100 mg/mL in ethanol, solution , CAS No.8002-43-5

CAS: 8002-43-5 Cat. No.: L434224 Formula: C₄₂H₈₀NO₈P Peso molecolare: 758.06 Beilstein Registry Number: 5209585 Numero EC: 232-307-2

GRADE & PURITY egg yolk, Type XIII-E, 100 mg/mL in ethanol, solution

Synonyms

PC(16:0/18:2(9Z,12Z)) | [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate | 1-palmitoyl-2-linoleoyl-phosphatidylcholine | PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE | Soy PC, L-alpha-phosphatidylcholin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

PC(16:0/18:2(9Z,12Z)) | [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate | 1-palmitoyl-2-linoleoyl-phosphatidylcholine | PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE | Soy PC, L-alpha-phosphatidylcholin

Specifiche e purezza

egg yolk, Type XIII-E, 100 mg/mL in ethanol, solution

Meccanismi biochimici e fisiologici

Phosphatidylcholine serves as a reservoir for several lipid messengers.Phosphatidylcholine is used for the preparation of vesicle suspensions, commonly called liposomes or monolayers. A major structural phospholipid in brain, comprising approx. 15% of tot

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528765136

Sorrisi canonici

[P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)C

IUPAC Name

[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

InChIKey

JLPULHDHAOZNQI-ZTIMHPMXSA-N

INCHI

1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1

Isomeri SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

WGK Germania

1

RTECS

OG7565000

CAS alternativo

55128-59-1

Peso molecolare

758.06

Beilstein

5209585

Reaxy-Rn

11330961

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11330961&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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 Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Diacylglycero-3-phosphocholine - Phosphocholine - 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 oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic salt - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 758.100 g/mol
• XLogP3: 12.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 40
• Exact Mass: 757.562 Da
• Monoisotopic Mass: 757.562 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 940.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1