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CHEBI:171136 - PE-NMe2(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:171136
ChEBI NamePE-NMe2(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78NO8P
Net Charge0
Average Mass792.092
Monoisotopic Mass791.54651
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H78NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3)4)54-45(48)38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-25,28,30,43H,5-12,17-18,22,26-27,29,31-42H2,1-4H3,(H,49,50)/b15-13-,16-14-,21-19-,23-20-,25-24-,30-28-
InChIKeyKKQIKLDBJCLFQX-WCKHRBHJSA-N
Species of MetaboliteComponentSourceComments
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)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) (CHEBI:171136) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
74851092ChemSpider
HMDB0114305HMDB