CHEBI:143564 - (S)-lisofylline

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ChEBI Name (S)-lisofylline
ChEBI ID CHEBI:143564
ChEBI ASCII Name (S)-lisofylline
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H20N4O3
Net Charge 0
Average Mass 280.328
Monoisotopic Mass 280.15354
InChI InChI=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
InChIKey NSMXQKNUPPXBRG-VIFPVBQESA-N
SMILES C=12N(C=NC1N(C(N(C2=O)CCCC[C@@H](O)C)=O)C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 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 Sources
(+)-lisofylline ChEBI
(S)-lisophylline ChemIDplus
(S)-LSF ChEBI
1-[(5S)-5-hydroxyhexyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione ChEBI
1-[(S)-5-Hydroxyhexyl]-3,7-dimethylxanthine ChEBI
Registry Number Type Source
100324-80-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
24927417 PubMed citation Europe PMC
Last Modified
03 May 2019