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CHEBI:172824 - PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))

ChEBI IDCHEBI:172824
ChEBI NamePE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H80NO7P
Net Charge0
Average Mass778.109
Monoisotopic Mass777.56724
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C45H80NO7P/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/h11,13-14,16-17,19,22-23,26,28,37,40,44H,3-10,12,15,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
InChIKeyFISVEBQJGBZOPW-USOCFQKQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) (CHEBI:172824) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
24769055ChemSpider
HMDB0009611HMDB