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CHEBI:171129 - PE-NMe2(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:171129
ChEBI NamePE-NMe2(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78NO8P
Net Charge0
Average Mass792.092
Monoisotopic Mass791.54651
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C45H78NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-24,26,30,32,43H,5-12,17-18,22,25,27-29,31,33-42H2,1-4H3,(H,49,50)/b15-13-,16-14-,21-19-,23-20-,26-24-,32-30-
InChIKeyPKLKEGRSJSICKX-UQWHXBSESA-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 (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe2(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:171129) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
HMDB0114082HMDB
74850870ChemSpider