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CHEBI:171078 - PE-NMe(20:0/14:1(9Z))

ChEBI IDCHEBI:171078
ChEBI NamePE-NMe(20:0/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H78NO8P
Net Charge0
Average Mass732.037
Monoisotopic Mass731.54651
SMILESCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C40H78NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-22-15-13-11-9-7-5-2/h11,13,38,41H,4-10,12,14-37H2,1-3H3,(H,44,45)/b13-11-
InChIKeyNERGNSFITQQTCN-QBFSEMIESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(20:0/14:1(9Z)) (CHEBI:171078) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate
Manual XrefsDatabases
74850152ChemSpider
HMDB0113280HMDB