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CHEBI:230264 - PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)

ChEBI IDCHEBI:230264
ChEBI NamePE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72NO8P
Net Charge0
Average Mass750.011
Monoisotopic Mass749.49955
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)CCCCCCCCCCCCCC
InChIInChI=1S/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,28,30,40H,3-4,6,8-10,12,14-16,19,22,24,26-27,29,31-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,30-28-/t40-/m1/s1
InChIKeyHQQLWXSWIVOBTJ-IAQNISDJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) (CHEBI:230264) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0009681HMDB
24769125ChemSpider
LMGP02011136LIPID MAPS