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CHEBI:171114 - PE-NMe(16:0/18:0)

ChEBI IDCHEBI:171114
ChEBI NamePE-NMe(16:0/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H80NO8P
Net Charge0
Average Mass734.053
Monoisotopic Mass733.56216
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C40H80NO8P/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/h38,41H,4-37H2,1-3H3,(H,44,45)
InChIKeyXXTJGSGMNTWEJO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
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)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(16:0/18:0) (CHEBI:171114) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
HMDB0112965HMDB
74849839ChemSpider