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1-O-hexadecyl-2-hydroxy-sn-glycero-3-phosphocholine - >99%, high purity , CAS No.52691-62-0
Basic Description
Synonyms
MFCD00042932 | HMS3648P08 | GPC(O-16:0/0:0) | [(2R)-3-hexadecoxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate | 3,5,9-TRIOXA-4-PHOSPHAPENTACOSAN-1-AMINIUM, 4,7-DIHYDROXY-N,N,N-TRIMETHYL-, INNER SALT, 4-OXIDE, (7R)- | CHEBI:64496 | (2r)-3-(hexade
Specifications & Purity
≥99%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Glycerophospholipids
Subclass
Glycerophosphocholines
Intermediate Tree Nodes
Not available
Direct Parent
Monoalkylglycerophosphocholines
Alternative Parents
Phosphocholines Glycerol ethers Dialkyl phosphates Tetraalkylammonium salts Secondary alcohols Dialkyl ethers Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic acyclic compounds
Substituents
Monoalkylglycerophosphocholine - Phosphocholine - Glycerol ether - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Quaternary ammonium salt - Tetraalkylammonium salt - Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic salt - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as monoalkylglycerophosphocholines. These are compounds containing glycerophosphocholine moiety attached to an fatty acyl chain through an ether bond.
External Descriptors
Monoalkylglycerophosphocholines
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488188347
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488188347
IUPAC Name
[(2R)-3-hexadecoxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
INCHI
InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/t24-/m1/s1
InChIKey
VLBPIWYTPAXCFJ-XMMPIXPASA-N
Smiles
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Isomeric SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Molecular Weight
481.647
Reaxy-Rn
4013354
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4013354&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
481.600 g/mol
XLogP3
5.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
24
Exact Mass
481.353 Da
Monoisotopic Mass
481.353 Da
Topological Polar Surface Area
88.100 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
450.000
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
Citations of This Product
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1 Citations
B2027054