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CHEBI:171051 - PE-NMe(18:3(6Z,9Z,12Z)/20:1(11Z))

ChEBI IDCHEBI:171051
ChEBI NamePE-NMe(18:3(6Z,9Z,12Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C44H80NO8P/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45-3)40-50-43(46)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h13,15,18-20,22,26,28,42,45H,4-12,14,16-17,21,23-25,27,29-41H2,1-3H3,(H,48,49)/b15-13-,20-18-,22-19-,28-26-
InChIKeyJAUFAOLTVOJTRD-ALHHEWQFSA-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)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(18:3(6Z,9Z,12Z)/20:1(11Z)) (CHEBI:171051) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
74850077ChemSpider
HMDB0113205HMDB