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CHEBI:170190 - PE-NMe(22:1(13Z)/16:1(9Z))

ChEBI IDCHEBI:170190
ChEBI NamePE-NMe(22:1(13Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H84NO8P
Net Charge0
Average Mass786.129
Monoisotopic Mass785.59346
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C44H84NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45-3)53-44(47)37-35-33-31-29-27-24-17-15-13-11-9-7-5-2/h15,17-19,42,45H,4-14,16,20-41H2,1-3H3,(H,48,49)/b17-15-,19-18-
InChIKeySNFHQDNARKNOPZ-FESQGUELSA-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;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(22:1(13Z)/16:1(9Z)) (CHEBI:170190) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
74850410ChemSpider
HMDB0113539HMDB