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CHEBI:78368 - 1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:78368
ChEBI Name1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine
DefinitionA 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are hexadecyl and butanoyl respectively.
Last Modified26 August 2015
Submitternhn
DownloadsMolfile
FormulaC28H58NO7P
Net Charge0
Average Mass551.746
Monoisotopic Mass551.39509
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC
InChIInChI=1S/C28H58NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33-25-27(36-28(30)21-7-2)26-35-37(31,32)34-24-22-29(3,4)5/h27H,6-26H2,1-5H3/t27-/m1/s1
InChIKeyUVHUBDICYDPLIO-HHHXNRCGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:78368) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:78368) is a butyrate ester (CHEBI:50477)
IUPAC Name 
(2R)-2-(butyryloxy)-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-hexadecyl-2-butyryl-sn-glycero-3-phosphocholineChEBI
PC(O-16:0/4:0)ChEBI
UniProt Name  Source
1-O-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01020072LIPID MAPS
Registry NumbersSources
Reaxys:15471643Reaxys
Citations