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CHEBI:143565 - 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ChEBI IDCHEBI:143565
ChEBI Name1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Stars
ASCII Name1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
DefinitionA dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively.
Last Modified3 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC13H20N4O3
Net Charge0
Average Mass280.328
Monoisotopic Mass280.15354
SMILESCC(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
InChIKeyNSMXQKNUPPXBRG-UHFFFAOYSA-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)
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CHEBI:143565) is a dimethylxanthine (CHEBI:23818)
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CHEBI:143565) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
(R)-lisofylline (CHEBI:143527) is a 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CHEBI:143565)
(S)-lisofylline (CHEBI:143564) is a 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CHEBI:143565)
IUPAC Name 
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione