Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC- InChIKey
SLKDGVPOSSLUAI-PGUFJCEWSA-N- Summenformel
- C37H74NO8P
- Durchschnittliche Molmasse
- 692 g/mol
- Monoisotopische Masse
- 691,51520496
Überblick
1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are both specified as hexadecanoyl (palmitoyl). It has a role as a mouse metabolite. It is functionally related to a hexadecanoic acid. It is a tautomer of a 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion.
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine
- IUPAC
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Namen und Synonyme
923-61-51,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine4FWH120Z1ZCHEBI:731271,2-Dihexadecanoyl-sn-glycerol-3-phosphorylethanolamine2-aminoethyl (2R)-2,3-bis(palmitoyloxy)propyl hydrogen phosphate2-aminoethyl (2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphateRefChem:411644213-097-1C37H74NO8PPE(16:0/16:0)
Weitere Namen anzeigen
Dipalmitoyl phosphatidylethanolamineMFCD00036776EINECS 213-097-11,2-Dipalmitoyl-sn-glycero-3-phosphorylethanolamineGPEtn(32:0)Phophatidylethanolamine(32:0)DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINEGPEtn(16:0/16:0)
Datenbank-Bezeichner
- CAS
923-61-5- PubChem CID
- 445468
- DTXSID
DTXSID90919258- ChEBI
CHEBI:73127- UNII
- 4FWH120Z1Z
- EC Number
- 213-097-1
- Nikkaji
- J76.013G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10,3
- Polarare Oberfläche (TPSA)
- 134 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 39
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 754
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Lipids
Lipids -> Unambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]
Physical DescriptionSolid
Collision Cross Section
260.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
262.5 Ų [M-H]-
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory Information
Hexadecanoic acid, (1R)-1-(2-aminoethoxy)hydroxyphosphinyloxymethyl-1,2-ethanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(16:0/16:0)
Zugehörige Reaktionen
1
Verknüpfte Notizen
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