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CHEBI:170346 - PE(20:4(8Z,11Z,14Z,17Z)/16:0)

ChEBI IDCHEBI:170346
ChEBI NamePE(20:4(8Z,11Z,14Z,17Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74NO8P
Net Charge0
Average Mass740.016
Monoisotopic Mass739.51520
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,39H,3-4,6,8-10,12,14-16,19,21,23-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-,22-20-/t39-/m1/s1
InChIKeyHDJMKNNLHVVJES-JGGKAAGMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE(20:4(8Z,11Z,14Z,17Z)/16:0) (CHEBI:170346) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Manual XrefsDatabases
HMDB0009418HMDB
24768869ChemSpider