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CHEBI:77832 - 1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77832
ChEBI Name1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and butanoyl respectively.
Last Modified26 August 2015
Submitternhn
DownloadsMolfile
FormulaC28H56NO8P
Net Charge0
Average Mass565.729
Monoisotopic Mass565.37435
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC
InChIInChI=1S/C28H56NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(30)34-24-26(37-28(31)20-7-2)25-36-38(32,33)35-23-22-29(3,4)5/h26H,6-25H2,1-5H3/t26-/m1/s1
InChIKeyFFLOXQLYEUNLJS-AREMUKBSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:77832) has functional parent butyric acid (CHEBI:30772)
1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:77832) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:77832) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-2-(butyryloxy)-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-hexadecanoyl-2-butyryl-sn-glycero-3-phosphocholineLIPID MAPS
1-palmitoyl-2-butyryl-sn-glycero-3-phosphocholineLIPID MAPS
(2R)-2-(butyryloxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphateIUPAC
UniProt Name  Source
1-hexadecanoyl-2-butanoyl-sn-glycero-3-phosphocholineUniProt
Registry NumbersSources
Reaxys:4043490Reaxys
Citations