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CHEBI:184167 - PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)

ChEBI IDCHEBI:184167
ChEBI NamePE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H82NO8P
Net Charge0
Average Mass820.146
Monoisotopic Mass819.57781
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)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,27,29,33,35,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,29-27-,35-33-/t45-/m1/s1
InChIKeyIJBIDDAZNYQSCP-VEHBBKSSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0) (CHEBI:184167) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-icosanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
24769135ChemSpider
HMDB0009691HMDB
LMGP02011150LIPID MAPS