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CHEBI:170204 - PE-NMe(20:1(11Z)/18:1(11Z))

ChEBI IDCHEBI:170204
ChEBI NamePE-NMe(20:1(11Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H84NO8P
Net Charge0
Average Mass786.129
Monoisotopic Mass785.59346
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C44H84NO8P/c1-4-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45-3)53-44(47)37-35-33-31-29-27-25-22-19-17-15-13-11-9-7-5-2/h15,17-18,20,42,45H,4-14,16,19,21-41H2,1-3H3,(H,48,49)/b17-15-,20-18-
InChIKeyGHKPUHKETFETEK-GRFWKSNNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) 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(20:1(11Z)/18:1(11Z)) (CHEBI:170204) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0113314HMDB
74850185ChemSpider