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CHEBI:184279 - PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)

ChEBI IDCHEBI:184279
ChEBI NamePC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H88NO8P
Net Charge0
Average Mass862.227
Monoisotopic Mass861.62476
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,30,32,36,38,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-29,31,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,32-30-,38-36-/t48-/m1/s1
InChIKeyBINZSSJRRWYPEG-FODDTAATSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0) (CHEBI:184279) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01012115LIPID MAPS
HMDB0008734HMDB
24767395ChemSpider