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CHEBI:169912 - PE(22:2(13Z,16Z)/18:0)

ChEBI IDCHEBI:169912
ChEBI NamePE(22:2(13Z,16Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H86NO8P
Net Charge0
Average Mass800.156
Monoisotopic Mass799.60911
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-/t43-/m1/s1
InChIKeyHOCJFXIPJUJEBT-MTFJKWJPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PE(22:2(13Z,16Z)/18:0) (CHEBI:169912) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0009552HMDB
24768996ChemSpider
LMGP02011082LIPID MAPS