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CHEBI:196828 - PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)

ChEBI IDCHEBI:196828
ChEBI NamePE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78NO7P
Net Charge0
Average Mass776.093
Monoisotopic Mass775.55159
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCCCC
InChIInChI=1S/C45H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,37,40,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-,40-37-/t44-/m1/s1
InChIKeyUSEPMOIFGHPDNK-MNDXXDKYSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0) (CHEBI:196828) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0009709HMDB
24769152ChemSpider