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CHEBI:171643 - PE-NMe(14:1(9Z)/20:2(11Z,14Z))

ChEBI IDCHEBI:171643
ChEBI NamePE-NMe(14:1(9Z)/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74NO8P
Net Charge0
Average Mass728.005
Monoisotopic Mass727.51520
SMILESCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
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/h11-14,17-18,38,41H,4-10,15-16,19-37H2,1-3H3,(H,44,45)/b13-11-,14-12-,18-17-
InChIKeyLESWKZXDOLBOIR-HCSMKPQFSA-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(14:1(9Z)/20:2(11Z,14Z)) (CHEBI:171643) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
HMDB0113004HMDB
74849877ChemSpider