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CHEBI:187458 - PE(22:2(13Z,16Z)/22:0)

ChEBI IDCHEBI:187458
ChEBI NamePE(22:2(13Z,16Z)/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H94NO8P
Net Charge0
Average Mass856.264
Monoisotopic Mass855.67171
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,47H,3-10,12,14-16,18,20-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-/t47-/m1/s1
InChIKeyINEGCSSQPPHJAY-GIBQJYIPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PE(22:2(13Z,16Z)/22:0) (CHEBI:187458) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxypropan-2-yl] docosanoate
Manual XrefsDatabases
LMGP02011097LIPID MAPS
HMDB0009567HMDB
24769011ChemSpider