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CHEBI:78226 - 1,2-dicapryl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:78226
ChEBI Name1,2-dicapryl-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-dicapryl-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 capryl (decanoyl).
Last Modified3 September 2015
Submitterlaimo
DownloadsMolfile
FormulaC28H56NO8P
Net Charge0
Average Mass565.729
Monoisotopic Mass565.37435
SMILESCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
InChIInChI=1S/C28H56NO8P/c1-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29(3,4)5)37-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/t26-/m1/s1
InChIKeyMLKLDGSYMHFAOC-AREMUKBSSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dicapryl-sn-glycero-3-phosphocholine (CHEBI:78226) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
1,2-dicapryl-sn-glycero-3-phosphocholine (CHEBI:78226) is a decanoate ester (CHEBI:87658)
IUPAC Name 
(2R)-2,3-bis(decanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1,2-didecanoyl-sn-glycero-3-phosphocholine betaineSUBMITTER
PC 10:0/10:0 betaineSUBMITTER
1,2-dicaprinyl-sn-glycero-3-phosphocholine betaineChEBI
didecanoyl-L-α-glycerophosphorylcholineLIPID MAPS
DidecanoylglycerophosphocholineLIPID MAPS
DidecanoyllecithinLIPID MAPS
UniProt Name  Source
1,2-didecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
P1OPDBeChem
LMGP01010380LIPID MAPS
Registry NumbersSources
Reaxys:3757665Reaxys
CAS:3436-44-0ChemIDplus
Citations