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CHEBI:143564 - (S)-lisofylline

ChEBI IDCHEBI:143564
ChEBI Name(S)-lisofylline
Stars
ASCII Name(S)-lisofylline
DefinitionA 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (S)-configuration. It is the inactive optical enantiomer of (R)-lisofylline, an anti-inflammatory agent.
Last Modified3 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC13H20N4O3
Net Charge0
Average Mass280.328
Monoisotopic Mass280.15354
SMILESC[C@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyNSMXQKNUPPXBRG-VIFPVBQESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(S)-lisofylline (CHEBI:143564) is a 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CHEBI:143565)
(S)-lisofylline (CHEBI:143564) is enantiomer of (R)-lisofylline (CHEBI:143527)
Incoming Relation(s)
rac-lisofylline (CHEBI:143567) has part (S)-lisofylline (CHEBI:143564)
(R)-lisofylline (CHEBI:143527) is enantiomer of (S)-lisofylline (CHEBI:143564)
IUPAC Name 
1-[(5S)-5-hydroxyhexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms  Source
(+)-lisofyllineChEBI
(S)-LSFChEBI
(S)-lisophyllineChemIDplus
1-[(S)-5-Hydroxyhexyl]-3,7-dimethylxanthineChEBI
1-[(5S)-5-hydroxyhexyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneChEBI
Registry NumbersSources
CAS:100324-80-9ChemIDplus
Citations