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CHEBI:171100 - PE-NMe2(18:1(11Z)/18:1(9Z))

ChEBI IDCHEBI:171100
ChEBI NamePE-NMe2(18:1(11Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H82NO8P
Net Charge0
Average Mass772.102
Monoisotopic Mass771.57781
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h15,17,20,22,41H,5-14,16,18-19,21,23-40H2,1-4H3,(H,47,48)/b17-15-,22-20-
InChIKeyVEFZTXSCGJZAKO-FGIXQLCWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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-NMe2(18:1(11Z)/18:1(9Z)) (CHEBI:171100) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
74850658ChemSpider
HMDB0113869HMDB