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CHEBI:190239 - PE(24:0/20:4)

ChEBI IDCHEBI:190239
ChEBI NamePE(24:0/20:4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H90NO8P
Net Charge0
Average Mass852.232
Monoisotopic Mass851.64041
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C49H90NO8P/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/h12,14,18,20,24,26,30,32,47H,3-11,13,15-17,19,21-23,25,27-29,31,33-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-,32-30-/t47-/m1/s1
InChIKeyYVOGVSSSJHYLFJ-VOSZABOESA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
PE(24:0/20:4) (CHEBI:190239) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypropyl] docosanoate
Manual XrefsDatabases
LMGP02011038LIPID MAPS
HMDB0009504HMDB
24768949ChemSpider