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CHEBI:171071 - PE-NMe(16:1(9Z)/18:0)

ChEBI IDCHEBI:171071
ChEBI NamePE-NMe(16:1(9Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H78NO8P
Net Charge0
Average Mass732.037
Monoisotopic Mass731.54651
SMILESCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H78NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h15,17,38,41H,4-14,16,18-37H2,1-3H3,(H,44,45)/b17-15-
InChIKeyVCUVBPRQCDXBDB-ICFOKQHNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(16:1(9Z)/18:0) (CHEBI:171071) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
74849836ChemSpider
HMDB0112962HMDB