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CHEBI:194562 - PE-NMe(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:194562
ChEBI NamePE-NMe(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78NO8P
Net Charge0
Average Mass804.103
Monoisotopic Mass803.54651
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C46H78NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h6,8,12,14-15,17-18,20,22-23,27,29,33,35,44,47H,4-5,7,9-11,13,16,19,21,24-26,28,30-32,34,36-43H2,1-3H3,(H,50,51)/b8-6-,14-12-,17-15-,20-18-,23-22-,29-27-,35-33-
InChIKeyRLKAKNYWYNPUJR-SVLKXFOPSA-N
Species of MetaboliteComponentSourceComments
Macaca fascicularis (ncbitaxon:9541) blood plasma (BTO:0000131) MetaboLights (MTBLS5005)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:194562) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
74850007ChemSpider