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CHEBI:170178 - PE-NMe2(22:2(13Z,16Z)/15:0)

ChEBI IDCHEBI:170178
ChEBI NamePE-NMe2(22:2(13Z,16Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H84NO8P
Net Charge0
Average Mass786.129
Monoisotopic Mass785.59346
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C44H84NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3)4)53-44(47)37-35-33-31-29-26-18-16-14-12-10-8-6-2/h13,15,19-20,42H,5-12,14,16-18,21-41H2,1-4H3,(H,48,49)/b15-13-,20-19-
InChIKeyWVYHTGZXEPTQNW-SESCJMQFSA-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)
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-NMe2(22:2(13Z,16Z)/15:0) (CHEBI:170178) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-pentadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0114468HMDB
74851255ChemSpider