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CHEBI:228677 - PC O-20:4

ChEBI IDCHEBI:228677
ChEBI NamePC O-20:4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50NO7P
Net Charge0
Average Mass543.682
Monoisotopic Mass543.33249
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC
InChIInChI=1S/C28H50NO7P/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/h8-9,11-12,14-15,17-18,27H,6-7,10,13,16,19-26H2,1-5H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyYDVXUVKGSHUSRO-GKFVBPDJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
PC O-20:4 (CHEBI:228677) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[2-butanoyloxy-3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate