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

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ChEBI Name	1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ChEBI ID	CHEBI:143565

ChEBI ASCII Name	1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C13H20N4O3

Net Charge

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

InChIKey

NSMXQKNUPPXBRG-UHFFFAOYSA-N

SMILES

C=12N(C=NC1N(C(N(C2=O)CCCCC(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 )

ChEBI Ontology
Outgoing	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	(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

Last Modified

03 May 2019

General Comment
2019-05-02	This is material with unspecified stereochemistry. There are separate entries for (R)-lisofylline, (S)-lisofylline and the racemate.