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CHEBI:171645 - PE-NMe(14:0/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:171645
ChEBI NamePE-NMe(14:0/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74NO8P
Net Charge0
Average Mass728.005
Monoisotopic Mass727.51520
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C40H74NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-15-13-11-9-7-5-2/h17-18,20-21,25,27,38,41H,4-16,19,22-24,26,28-37H2,1-3H3,(H,44,45)/b18-17-,21-20-,27-25-
InChIKeyQCKDLKZCCJWQPO-TZMHWIBQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(14:0/20:3(5Z,8Z,11Z)) (CHEBI:171645) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
74849858ChemSpider
HMDB0112985HMDB