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CHEBI:169589 - PE(22:0/22:2(13Z,16Z))

ChEBI IDCHEBI:169589
ChEBI NamePE(22:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H94NO8P
Net Charge0
Average Mass856.264
Monoisotopic Mass855.67171
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
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/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1
InChIKeyDJXFZPJEVPJZDX-YVQAKMNISA-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(22:0/22:2(13Z,16Z)) (CHEBI:169589) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxypropyl] docosanoate
Manual XrefsDatabases
HMDB0009503HMDB
24768948ChemSpider
LMGP02011037LIPID MAPS