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CHEBI:230177 - PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))

ChEBI IDCHEBI:230177
ChEBI NamePE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO8P
Net Charge0
Average Mass834.173
Monoisotopic Mass833.59346
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C48H84NO8P/c1-4-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49-3)57-48(51)41-39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-5-2/h6,8,12,14,18-21,23,25,28,30,46,49H,4-5,7,9-11,13,15-17,22,24,26-27,29,31-45H2,1-3H3,(H,52,53)/b8-6-,14-12-,20-18-,21-19-,25-23-,30-28-
InChIKeyINKCBOHWYWASFC-UGXCXLBOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) (CHEBI:230177) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-icos-11-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
74850530ChemSpider
HMDB0113659HMDB