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CHEBI:230281 - PE(P-16:0/LTE4)

ChEBI IDCHEBI:230281
ChEBI NamePE(P-16:0/LTE4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H79N2O10PS
Net Charge0
Average Mass859.161
Monoisotopic Mass858.51930
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O[C@H](CO/C=C/CCCCCCCCCCCCCC)COP(=O)(O)OCCN)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C44H79N2O10PS/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-34-53-36-39(37-55-57(51,52)54-35-33-45)56-44(50)40(46)38-58-42(41(47)30-29-32-43(48)49)31-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,23,25,27-28,31,34,39-42,47H,3-11,13,15-18,20,22,24,26,29-30,32-33,35-38,45-46H2,1-2H3,(H,48,49)(H,51,52)/b14-12-,21-19-,25-23+,31-27+,34-28+/t39-,40+,41+,42-/m1/s1
InChIKeyMIBYFOXXMSKSKO-LQNCNMKFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(P-16:0/LTE4) (CHEBI:230281) is a leukotriene (CHEBI:25029)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-hexadec-1-enoxy]propan-2-yl]oxy-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid