1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine
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Basic information
- CAS
125139-36-8- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C/C/C=C/C=C/[C@@H](O)CCCCC- InChIKey
SJCASUIXKYTFID-IFPBASBBSA-N- Molecular formula
- C44H80NO9P
- Average molar mass
- 798.1 g/mol
- Monoisotopic mass
- 797.55707013
Overview
naturally occurring hydroxylated lecithin
Names & identifiers
- Preferred name
- 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine
- IUPAC
- [(2R)-3-hexadecanoyloxy-2-[(5Z,8E,11E,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine
- Molecular formula
- C44H80NO9P
- Molecular weight
- 798.081061
Names & synonyms
125139-36-81-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholineRefChem:768381-Palm-2-15HETE PC4,23-Dihydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-3,5,8-trioxa-4-phosphaoctacosa-13,16,19,21-tetraen-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(Z,E,E,E)))-3,5,8-Trioxa-4-phosphaoctacosa-13,16,19,21-tetraen-1-aminium, 4,23-dihydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(Z,E,E,E)))-
Database identifiers
- CAS
125139-36-8- PubChem CID
- 6439201
Properties
Computed structural propertiesFilling in
- XLogP
- 11.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 40
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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