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CHEBI:176401 - PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:176401
ChEBI NamePC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78NO8P
Net Charge0
Average Mass804.103
Monoisotopic Mass803.54651
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,18,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
InChIKeyDLRNZUPJXRVWRW-FKZZUUMNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:176401) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24766693ChemSpider
HMDB0008023HMDB
LMGP01010696LIPID MAPS