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CHEBI:171625 - PE-NMe(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:171625
ChEBI NamePE-NMe(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H78NO8P
Net Charge0
Average Mass780.081
Monoisotopic Mass779.54651
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C44H78NO8P/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/h13,15,18-20,22-23,25,29,31,42,45H,4-12,14,16-17,21,24,26-28,30,32-41H2,1-3H3,(H,48,49)/b15-13-,20-18-,22-19-,25-23-,31-29-
InChIKeyZKLXXSNRWWDPIX-VNNDRYIISA-N
Species of MetaboliteComponentSourceComments
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)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) (CHEBI:171625) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0113179HMDB
74850051ChemSpider