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CHEBI:171026 - PE-NMe(18:3(9Z,12Z,15Z)/18:0)

ChEBI IDCHEBI:171026
ChEBI NamePE-NMe(18:3(9Z,12Z,15Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78NO8P
Net Charge0
Average Mass756.059
Monoisotopic Mass755.54651
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H78NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12,14,18,20,40,43H,4-5,7,9-11,13,15-17,19,21-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,20-18-
InChIKeyBXOQJPRYXDINCF-HLMRNWPHSA-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 (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(18:3(9Z,12Z,15Z)/18:0) (CHEBI:171026) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
HMDB0113226HMDB
74850098ChemSpider