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CHEBI:184638 - Pe-nme(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:184638
ChEBI NamePe-nme(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H86NO8P
Net Charge0
Average Mass860.211
Monoisotopic Mass859.60911
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\CCCCCCCC)COP(=O)(O)OCCNC
InChIInChI=1S/C50H86NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h7,9,13,15,18-21,25,27,31,33,37,39,48,51H,4-6,8,10-12,14,16-17,22-24,26,28-30,32,34-36,38,40-47H2,1-3H3,(H,54,55)/b9-7-,15-13-,20-18-,21-19-,27-25-,33-31-,39-37-
InChIKeyPSUABDWMNUPXKX-GEGHAFRCSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Pe-nme(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:184638) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0116731HMDB
74851486ChemSpider