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CHEBI:169862 - PC(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Default Structure
ChEBI IDCHEBI:169862
ChEBI NamePC(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H88NO7P
Net Charge0
Average Mass846.228
Monoisotopic Mass845.62984
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26-27,31,33,37,39,42,45,49H,6-7,9,11-13,15,17-19,21,23-25,28-30,32,34-36,38,40-41,43-44,46-48H2,1-5H3/b10-8-,16-14-,22-20-,27-26-,33-31-,39-37-,45-42-/t49-/m1/s1
InChIKeyPBCGCYPCACHPOW-DLKGOUNDSA-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(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:169862) is a 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine (CHEBI:78188)
IUPAC Name 
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-icos-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
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