Sphingomyelin (Egg, Chicken) - ≥98% , CAS No.383907-87-7

CAS: 383907-87-7 Cat. No.: S493423 Formule: C₃₉H₇₉N₂O₆P Poids moléculaire: 703.02

GRADE & PURITY ≥98%

Synonyms

N-Palmitoylsphingomyelin|6254-89-3|C16 Sphingomyelin|Sphingomyelin 16:0|Palmitoyl Sphingomyelin|Hexadecanoyl Sphingomyelin|SM(d18:1/16:0)|N-PALMITOYL-D-SPHINGOMYELIN|N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine|N-Palmitoylsphingosylphosphorylcholine|8

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

N-Palmitoylsphingomyelin | 6254-89-3 | C16 Sphingomyelin | Sphingomyelin 16:0 | Palmitoyl Sphingomyelin | Hexadecanoyl Sphingomyelin | SM(d18:1/16:0) | N-PALMITOYL-D-SPHINGOMYELIN | N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine | N-Palmitoylsphingosylphosphorylcholine | 8

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504765121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765121

Sourires canoniques

CCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

IUPAC Name

[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

InChIKey

RWKUXQNLWDTSLO-GWQJGLRPSA-N

INCHI

1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1

Isomères SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O

Poids moléculaire

703.02

Reaxy-Rn

4170884

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4170884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Sphingolipids
      • Subclass Phosphosphingolipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Sphingolipids
• Subclass: Phosphosphingolipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphosphingolipids
• Alternative Parents: Phosphocholines Phosphoethanolamines Dialkyl phosphates N-acyl amines Tetraalkylammonium salts Secondary carboxylic acid amides Secondary alcohols Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sphingoid-1-phosphate or derivatives - Phosphocholine - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Tetraalkylammonium salt - Quaternary ammonium salt - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Organic zwitterion - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.
• External Descriptors: Ceramide phosphocholines (sphingomyelins)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 703.000 g/mol
• XLogP3: 12.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 36
• Exact Mass: 702.568 Da
• Monoisotopic Mass: 702.568 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 796.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1