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CHEBI:196834 - PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:196834
ChEBI NamePE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
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\CCCCCC(=O)O[C@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
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)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,37,40,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,40-37-/t44-/m1/s1
InChIKeyMERDTQWSAMFCRO-GTTJCIGDSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:196834) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
24769343ChemSpider
HMDB0011459HMDB