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CHEBI:171649 - PE-NMe(18:2(9Z,12Z)/16:1(9Z))

ChEBI IDCHEBI:171649
ChEBI NamePE-NMe(18:2(9Z,12Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74NO8P
Net Charge0
Average Mass728.005
Monoisotopic Mass727.51520
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C40H74NO8P/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/h12,14-15,17-19,38,41H,4-11,13,16,20-37H2,1-3H3,(H,44,45)/b14-12-,17-15-,19-18-
InChIKeyXSIKCBIJSFQRQT-OBIYJZOGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(18:2(9Z,12Z)/16:1(9Z)) (CHEBI:171649) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
74850041ChemSpider
HMDB0113168HMDB