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CHEBI:170996 - PE-NMe(16:1(9Z)/18:1(11Z))

ChEBI IDCHEBI:170996
ChEBI NamePE-NMe(16:1(9Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76NO8P
Net Charge0
Average Mass730.021
Monoisotopic Mass729.53086
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C40H76NO8P/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/h14-17,38,41H,4-13,18-37H2,1-3H3,(H,44,45)/b16-14-,17-15-
InChIKeySZVWJZUHPUKXGC-RYOQUFEFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;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(16:1(9Z)/18:1(11Z)) (CHEBI:170996) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0112957HMDB
74849831ChemSpider