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CHEBI:180637 - PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:180637
ChEBI NamePE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66NO8P
Net Charge0
Average Mass731.952
Monoisotopic Mass731.45260
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C41H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,39H,3-4,9-10,15-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-/m1/s1
InChIKeyXPVPRBUMVPRRIJ-FWANEPEWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:180637) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
HMDB0009195HMDB
LMGP02010754LIPID MAPS
24768657ChemSpider