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CHEBI:170161 - PE-NMe(22:1(13Z)/14:0)

ChEBI IDCHEBI:170161
ChEBI NamePE-NMe(22:1(13Z)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C42H82NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-24-15-13-11-9-7-5-2/h17-18,40,43H,4-16,19-39H2,1-3H3,(H,46,47)/b18-17-
InChIKeyMMVVNWWPFZGQIP-ZCXUNETKSA-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(22:1(13Z)/14:0) (CHEBI:170161) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0113535HMDB
74850406ChemSpider