EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41950 - 3-hydroxy-4-hydroxymethyl-1-(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)pyrrolidinium

ChEBI IDCHEBI:41950
ChEBI Name3-hydroxy-4-hydroxymethyl-1-(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)pyrrolidinium
Stars
ASCII Name3-hydroxy-4-hydroxymethyl-1-(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)pyrrolidinium
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H19N4O3
Net Charge+1
Average Mass267.309
Monoisotopic Mass267.14517
SMILES[H]OC([H])([H])[C@@]1([H])C([H])([H])[N@+]([H])(C([H])([H])C2=C([H])N([H])[C@@]3([H])C(=O)N([H])C([H])=N[C@]23[H])C([H])([H])[C@]1([H])O[H]
InChIInChI=1S/C12H18N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-11,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+,10-,11-/m1/s1
InChIKeyWFVGWLHAOKEIOJ-LMLFDSFASA-O
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-4-hydroxymethyl-1-(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)pyrrolidinium (CHEBI:41950) is a N-alkylpyrrolidine (CHEBI:46775)
3-hydroxy-4-hydroxymethyl-1-(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)pyrrolidinium (CHEBI:41950) is a monohydroxypyrrolidine (CHEBI:46777)
3-hydroxy-4-hydroxymethyl-1-(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)pyrrolidinium (CHEBI:41950) is a pyrrolopyrimidine (CHEBI:38670)
Synonyms  Source
3-HYDROXY-4-HYDROXYMETHYL-1-(4-OXO-4,4A,5,7A-TETRAHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YLMETHYL)-PYRROLIDINIUMPDBeChem
(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-1-{[(4aR,7aR)-4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl}pyrrolidiniumPDBeChem
Manual XrefsDatabases
DIHPDBeChem