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CHEBI:190172 - PE(P-18:0/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:190172
ChEBI NamePE(P-18:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H82NO7P
Net Charge0
Average Mass780.125
Monoisotopic Mass779.58289
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C45H82NO7P/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/h11,13,17,19,22-23,26,28,37,40,44H,3-10,12,14-16,18,20-21,24-25,27,29-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-,40-37-/t44-/m1/s1
InChIKeyTVTRPEJBOGUHBJ-IKHSQHJKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:190172) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
24769275ChemSpider
HMDB0011391HMDB
LMGP02030061LIPID MAPS