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CHEBI:171333 - PE-NMe2(18:1(11Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:171333
ChEBI NamePE-NMe2(18:1(11Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H80NO8P
Net Charge0
Average Mass770.086
Monoisotopic Mass769.56216
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C43H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h14-17,20,22,41H,5-13,18-19,21,23-40H2,1-4H3,(H,47,48)/b16-14-,17-15-,22-20-
InChIKeyMAXHXUUUIUEQEA-MVOFRJPJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) 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(18:1(11Z)/18:2(9Z,12Z)) (CHEBI:171333) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-11-enoate
Manual XrefsDatabases
74850805ChemSpider
HMDB0114017HMDB