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CHEBI:170261 - PE-NMe(16:0/18:1(9Z))

ChEBI IDCHEBI:170261
ChEBI NamePE-NMe(16:0/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H78NO8P
Net Charge0
Average Mass732.037
Monoisotopic Mass731.54651
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC
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/h18-19,38,41H,4-17,20-37H2,1-3H3,(H,44,45)/b19-18-/t38-/m1/s1
InChIKeyYAOJJIUXLIFZQN-YWTUKGCKSA-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 (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(16:0/18:1(9Z)) (CHEBI:170261) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP02010339LIPID MAPS
HMDB0010569HMDB
7825983ChemSpider