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CHEBI:169921 - PC(o-22:0/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:169921
ChEBI NamePC(o-22:0/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H94NO7P
Net Charge0
Average Mass852.276
Monoisotopic Mass851.67679
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,35,37,49H,6-14,16,18-20,22,24-28,30,32-34,36,38-48H2,1-5H3/b17-15-,23-21-,31-29-,37-35-/t49-/m1/s1
InChIKeyPFSAGEUWPWJOBK-QENZFRSWSA-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-22:0/20:4(8Z,11Z,14Z,17Z)) (CHEBI:169921) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[(2R)-3-docosoxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0013448HMDB
35032630ChemSpider