Basic information
- CAS
34240-68-1- Standard SMILES
CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
XKBJVQHMEXMFDZ-UHFFFAOYSA-N- Molecular formula
- C26H56NO6P
- Average molar mass
- 509.7 g/mol
- Monoisotopic mass
- 509.3845255
Overview
1-octadecylglycero-3-phosphocholine is a 1-alkylglycero-3-phosphocholine in which the alkyl group is specified as octadecyl. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
- IUPAC
- (2-hydroxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Names & synonyms
72490-82-5RefChem:10658673,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxideLyso-PAF c-18Lyso-PAF (C18)(2-hydroxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate34240-68-11-octadecylglycero-3-phosphocholine2-hydroxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphateLPC O-18:0MFCD00065889Ro 14-0859
Show more names
CHEMBL229361SCHEMBL7592842CHEBI:91144DTXSID20955785lyso-PC (O-18:0/0:0)4,7-DihydroXY-N,N,N-trimethyl-2,5,9-trioxa-4-phosphaheptacosan-1-aminium hydroxide, inner salt, 4-oxide, (+-)-FO111149FO177703
Database identifiers
- CAS
34240-68-1、72490-82-5- PubChem CID
- 3985
- DTXSID
DTXSID20955785- ChEMBL
CHEMBL229361- ChEBI
CHEBI:91144
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 26
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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