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CHEBI:171420 - PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)

ChEBI IDCHEBI:171420
ChEBI NamePE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCCCCCC
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/h6,8,12,14,18,20,24,26,30,32,44,47H,4-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-43H2,1-3H3,(H,50,51)/b8-6-,14-12-,20-18-,26-24-,32-30-
InChIKeyIBBAYRJQIFZDDK-VZTVXHQSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) (CHEBI:171420) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
74850362ChemSpider
HMDB0113491HMDB