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CHEBI:178172 - PC(22:2(13Z,16Z)/24:0)

ChEBI IDCHEBI:178172
ChEBI NamePC(22:2(13Z,16Z)/24:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H104NO8P
Net Charge0
Average Mass926.399
Monoisotopic Mass925.74996
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,52H,6-14,16,18-20,22,24-51H2,1-5H3/b17-15-,23-21-/t52-/m1/s1
InChIKeyUPYIIISLYUFMDM-WIXQEAAPSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
PC(22:2(13Z,16Z)/24:0) (CHEBI:178172) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0008617HMDB
24767278ChemSpider