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CHEBI:169874 - PE(22:2(13Z,16Z)/20:1(11Z))

ChEBI IDCHEBI:169874
ChEBI NamePE(22:2(13Z,16Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H88NO8P
Net Charge0
Average Mass826.194
Monoisotopic Mass825.62476
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C47H88NO8P/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/h11,13,17-20,45H,3-10,12,14-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,20-18-/t45-/m1/s1
InChIKeyFROXNOVGAGRVTN-RLWNNFTMSA-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)/20:1(11Z)) (CHEBI:169874) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-icos-11-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0009560HMDB
24769004ChemSpider
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