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CHEBI:185381 - Pe-nme2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:185381
ChEBI NamePe-nme2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H86NO8P
Net Charge0
Average Mass872.222
Monoisotopic Mass871.60911
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN(C)C
InChIInChI=1S/C51H86NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52(3)4)60-51(54)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,26,28,32,34,38,40,49H,5-7,9,11-12,17-18,23-25,27,29-31,33,35-37,39,41-48H2,1-4H3,(H,55,56)/b10-8-,15-13-,16-14-,21-19-,22-20-,28-26-,34-32-,40-38-
InChIKeyYFWVHSRDQQCICM-MZEONCIYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Pe-nme2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:185381) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
74851279ChemSpider
HMDB0114492HMDB