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CHEBI:171433 - PE-NMe(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))

ChEBI IDCHEBI:171433
ChEBI NamePE-NMe(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C46H82NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h13,15,18-21,24,26,30,32,44,47H,4-12,14,16-17,22-23,25,27-29,31,33-43H2,1-3H3,(H,50,51)/b15-13-,20-18-,21-19-,26-24-,32-30-
InChIKeyQPYAMVJSUDKLQP-PIUHZQJFSA-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)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) (CHEBI:171433) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0113380HMDB
74850251ChemSpider