EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216833 - 5-[(2S,3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,7-dihydroimidazo[4,5-d]triazine-4,6-dione

ChEBI IDCHEBI:216833
ChEBI Name5-[(2S,3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,7-dihydroimidazo[4,5-d]triazine-4,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H13N5O7
Net Charge0
Average Mass315.242
Monoisotopic Mass315.08150
SMILESO=c1nnnc2nc(=O)n([C@H]3OC(CO)[C@H](O)[C@@H](O)[C@@H]3O)c12
InChIInChI=1S/C10H13N5O7/c16-1-2-4(17)5(18)6(19)9(22-2)15-3-7(11-10(15)21)12-14-13-8(3)20/h2,4-6,9,16-19H,1H2,(H2,11,12,13,20,21)/t2?,4-,5+,6-,9-/m0/s1
InChIKeyONAOTWYINPONOS-KSQRSNSQSA-N
Species of MetaboliteComponentSourceComments
Lepista sordida (ncbitaxon:123925) - PubMed (29235343)
ChEBI Ontology
Outgoing Relation(s)
5-[(2S,3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,7-dihydroimidazo[4,5-d]triazine-4,6-dione (CHEBI:216833) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
5-[(2S,3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,7-dihydroimidazo[4,5-d]triazine-4,6-dione
Manual XrefsDatabases
78439346ChemSpider