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CHEBI:171093 - PE-NMe(20:1(11Z)/16:1(9Z))

ChEBI IDCHEBI:171093
ChEBI NamePE-NMe(20:1(11Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C42H80NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-22-17-15-13-11-9-7-5-2/h15,17-19,40,43H,4-14,16,20-39H2,1-3H3,(H,46,47)/b17-15-,19-18-
InChIKeyHXRCFNGMTAZUKD-FESQGUELSA-N
Species of MetaboliteComponentSourceComments
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)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(20:1(11Z)/16:1(9Z)) (CHEBI:171093) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0113312HMDB
74850183ChemSpider