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CHEBI:184615 - Pe-nme(22:2(13Z,16Z)/18:1(9Z))

ChEBI IDCHEBI:184615
ChEBI NamePe-nme(22:2(13Z,16Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H86NO8P
Net Charge0
Average Mass812.167
Monoisotopic Mass811.60911
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C46H86NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-24-19-17-15-13-11-9-7-5-2/h12,14,18-20,24,44,47H,4-11,13,15-17,21-23,25-43H2,1-3H3,(H,50,51)/b14-12-,20-18-,24-19-
InChIKeyAFYFLMDIXJQARK-MYACYKOGSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Pe-nme(22:2(13Z,16Z)/18:1(9Z)) (CHEBI:184615) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0113570HMDB
74850441ChemSpider