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CHEBI:170334 - PE(18:3(9Z,12Z,15Z)/P-18:1(11Z))

ChEBI IDCHEBI:170334
ChEBI NamePE(18:3(9Z,12Z,15Z)/P-18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74NO7P
Net Charge0
Average Mass724.017
Monoisotopic Mass723.52029
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,33,36,40H,3-5,7,9-11,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,15-13-,20-18-,36-33-/t40-/m1/s1
InChIKeyLZKMZMYNPDCEHB-GPCLIJNSSA-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(18:3(9Z,12Z,15Z)/P-18:1(11Z)) (CHEBI:170334) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
HMDB0009182HMDB
24768644ChemSpider