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CHEBI:171435 - PE-NMe(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:171435
ChEBI NamePE-NMe(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
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/h12,14,18-21,25,27,31,33,44,47H,4-11,13,15-17,22-24,26,28-30,32,34-43H2,1-3H3,(H,50,51)/b14-12-,20-18-,21-19-,27-25-,33-31-
InChIKeyREUXDUZHPYHJIY-GIKINHJDSA-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)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) (CHEBI:171435) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0113352HMDB
74850223ChemSpider