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CHEBI:230646 - PE(P-18:0/20:3(8Z,11Z,14Z)-2OH(5,6))

ChEBI IDCHEBI:230646
ChEBI NamePE(P-18:0/20:3(8Z,11Z,14Z)-2OH(5,6))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H80NO9P
Net Charge0
Average Mass786.085
Monoisotopic Mass785.55707
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)O[C@H](CO/C=C/CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C43H80NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-36-50-38-40(39-52-54(48,49)51-37-35-44)53-43(47)34-31-33-42(46)41(45)32-29-27-25-23-21-16-14-12-10-8-6-4-2/h12,14,21,23,27,29-30,36,40-42,45-46H,3-11,13,15-20,22,24-26,28,31-35,37-39,44H2,1-2H3,(H,48,49)/b14-12-,23-21-,29-27-,36-30+/t40-,41?,42?/m1/s1
InChIKeyTVIFTLOOEVDIMW-PGNCZBAXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(P-18:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (CHEBI:230646) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-octadec-1-enoxy]propan-2-yl] (8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoate
Manual XrefsDatabases
HMDB0285316HMDB