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CHEBI:171103 - PE-NMe2(22:2(13Z,16Z)/14:0)

ChEBI IDCHEBI:171103
ChEBI NamePE-NMe2(22:2(13Z,16Z)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H82NO8P
Net Charge0
Average Mass772.102
Monoisotopic Mass771.57781
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-25-16-14-12-10-8-6-2/h13,15,18-19,41H,5-12,14,16-17,20-40H2,1-4H3,(H,47,48)/b15-13-,19-18-
InChIKeyPWQJTWMWYWQUBK-WITMPDRSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(22:2(13Z,16Z)/14:0) (CHEBI:171103) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0114466HMDB
74851253ChemSpider