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

ChEBI IDCHEBI:78228
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as octanoyl.
Secondary ChEBI IDCHEBI:44735
Last Modified27 August 2015
Submitterlaimo
DownloadsMolfile
FormulaC24H48NO8P
Net Charge0
Average Mass509.621
Monoisotopic Mass509.31175
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChIInChI=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
InChIKeyYHIXRNNWDBPKPW-JOCHJYFZSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
PC 8:0/8:0SUBMITTER
dicapryloyl-L-α-lecithinLIPID MAPS
PC(8:0/8:0)LIPID MAPS
dioctanoyl-L-α-glycerophosphorylcholineLIPID MAPS
dioctanoyl-L-α-phosphatidylcholineLIPID MAPS
1,2-dicapryloyl-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
1,2-dioctanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
PC8PDBeChem
LMGP01011251LIPID MAPS
Registry NumbersSources
Reaxys:3739975Reaxys
CAS:41017-85-0ChemIDplus