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CHEBI:169341 - PC(O-19:0/22:0)

ChEBI IDCHEBI:169341
ChEBI NamePC(O-19:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H100NO7P
Net Charge0
Average Mass846.313
Monoisotopic Mass845.72374
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C49H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(51)57-48(47-56-58(52,53)55-45-43-50(3,4)5)46-54-44-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
InChIKeyMXCLZHQVHKZRSM-QSCHNALKSA-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-19:0/22:0) (CHEBI:169341) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[(2R)-2-docosanoyloxy-3-nonadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01020120LIPID MAPS
24822913ChemSpider