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CHEBI:170316 - PE(P-18:1(11Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:170316
ChEBI NamePE(P-18:1(11Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74NO7P
Net Charge0
Average Mass724.017
Monoisotopic Mass723.52029
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,24,26,33,36,40H,3-11,16-17,19,21-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b14-12-,15-13-,20-18-,26-24-,36-33-/t40-/m1/s1
InChIKeyADWDFBQPQIEGRZ-XBICFDGKSA-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(P-18:1(11Z)/18:3(6Z,9Z,12Z)) (CHEBI:170316) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
24769294ChemSpider
HMDB0011410HMDB