EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44290 - 3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium

ChEBI IDCHEBI:44290
ChEBI Name3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium
Stars
ASCII Name3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H17N4O3S
Net Charge+1
Average Mass297.360
Monoisotopic Mass297.10159
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(c2c([H])n([H])c3c(=O)n([H])c([H])nc23)[N+]([H])([H])[C@]1([H])C([H])([H])SC([H])([H])[H]
InChIInChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1
InChIKeyCEGIKIXYDFDYDN-RXDXJJGDSA-O
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium (CHEBI:44290) is a dihydroxypyrrolidine (CHEBI:46776)
3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium (CHEBI:44290) is a pyrrolopyrimidine (CHEBI:38670)
Synonyms  Source
3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUMPDBeChem
(2S,3R,4S,5S)-3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidiniumPDBeChem
Manual XrefsDatabases
MTIPDBeChem