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CHEBI:170634 - PE(18:4(6Z,9Z,12Z,15Z)/20:0)

ChEBI IDCHEBI:170634
ChEBI NamePE(18:4(6Z,9Z,12Z,15Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO8P
Net Charge0
Average Mass768.070
Monoisotopic Mass767.54651
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,25,27,41H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b8-6-,14-12-,21-18-,27-25-/t41-/m1/s1
InChIKeyHKJCCNCCESQWTM-OUJOQKIDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE(18:4(6Z,9Z,12Z,15Z)/20:0) (CHEBI:170634) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
HMDB0009196HMDB
24768658ChemSpider
LMGP02010757LIPID MAPS