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CHEBI:171035 - PE-NMe(20:2(11Z,14Z)/16:1(9Z))

ChEBI IDCHEBI:171035
ChEBI NamePE-NMe(20:2(11Z,14Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78NO8P
Net Charge0
Average Mass756.059
Monoisotopic Mass755.54651
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C42H78NO8P/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/h12,14-15,17-19,40,43H,4-11,13,16,20-39H2,1-3H3,(H,46,47)/b14-12-,17-15-,19-18-
InChIKeyAUFIUGXSIJMZBG-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)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(20:2(11Z,14Z)/16:1(9Z)) (CHEBI:171035) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
74850212ChemSpider
HMDB0113341HMDB