CHEBI:78228 - 1,2-dioctanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1,2-dioctanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:78228
ChEBI ASCII Name 1,2-dioctanoyl-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as octanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Secondary ChEBI IDs CHEBI:44735
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Formula C24H48NO8P
Net Charge 0
Average Mass 509.61360
Monoisotopic Mass 509.31175
InChI InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/t22-/m1/s1
InChIKey YHIXRNNWDBPKPW-JOCHJYFZSA-N
SMILES CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
ChEBI Ontology
Outgoing 1,2-dioctanoyl-sn-glycero-3-phosphocholine (CHEBI:78228) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
1,2-dioctanoyl-sn-glycero-3-phosphocholine (CHEBI:78228) is a octanoate ester (CHEBI:87657)
IUPAC Name
(2R)-2,3-bis(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1,2-dicapryloyl-sn-glycero-3-phosphocholine ChEBI
1,2-dioctanoyl-sn-glycero-3-phosphocholine UniProt
1,2-Octanoylphosphatidylcholine ChemIDplus
dicapryloyl-L-α-lecithin LIPID MAPS
dioctanoyl-L-α-glycerophosphorylcholine LIPID MAPS
dioctanoyl-L-α-phosphatidylcholine LIPID MAPS
PC 8:0/8:0 SUBMITTER
PC(8:0/8:0) LIPID MAPS
Manual Xrefs Databases
LMGP01011251 LIPID MAPS
PC8 PDBeChem
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Registry Numbers Types Sources
3739975 Reaxys Registry Number Reaxys
41017-85-0 CAS Registry Number ChemIDplus
Last Modified
27 August 2015