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CHEBI:169642 - PC(O-20:0/19:0)

ChEBI IDCHEBI:169642
ChEBI NamePC(O-20:0/19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H96NO7P
Net Charge0
Average Mass818.259
Monoisotopic Mass817.69244
SMILESCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-52-44-46(45-54-56(50,51)53-43-41-48(3,4)5)55-47(49)40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1
InChIKeyIXTPFVGINJHUNS-YACUFSJGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PC(O-20:0/19:0) (CHEBI:169642) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[(2R)-3-icosoxy-2-nonadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01020232LIPID MAPS