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CHEBI:171075 - PE-NMe(18:1(9Z)/16:0)

ChEBI IDCHEBI:171075
ChEBI NamePE-NMe(18:1(9Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H78NO8P
Net Charge0
Average Mass732.037
Monoisotopic Mass731.54651
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H78NO8P/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h18-19,38,41H,4-17,20-37H2,1-3H3,(H,44,45)/b19-18-/t38-/m1/s1
InChIKeyWKYSALFADHRFOK-YWTUKGCKSA-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-NMe(18:1(9Z)/16:0) (CHEBI:171075) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP02010340LIPID MAPS
7825984ChemSpider