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CHEBI:170327 - PE(20:4(8Z,11Z,14Z,17Z)/P-16:0)

ChEBI IDCHEBI:170327
ChEBI NamePE(20:4(8Z,11Z,14Z,17Z)/P-16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74NO7P
Net Charge0
Average Mass724.017
Monoisotopic Mass723.52029
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCC
InChIInChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)47-38-40(39-49-50(44,45)48-37-35-42)46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,33,36,40H,3-4,6,8-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,19-17-,22-21-,36-33-/t40-/m1/s1
InChIKeySRUAKYVBZXWUPJ-BUODQXDTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE(20:4(8Z,11Z,14Z,17Z)/P-16:0) (CHEBI:170327) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Manual XrefsDatabases
HMDB0009444HMDB
24768895ChemSpider