DLZ

1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol

Created: 2009-06-16
Last modified:  2020-06-05

Find related ligands:

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count3
Bond Count42
Aromatic Bond Count0
2D diagram of DLZ

Chemical Component Summary

Name1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
Synonyms6,7-dimethyl-8-(1'-D-ribityl) lumazine
Systematic Name (OpenEye OEToolkits)6,7-dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione
FormulaC13 H18 N4 O6
Molecular Weight326.305
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO
SMILESCACTVS3.341CC1=C(C)N(C[CH](O)[CH](O)[CH](O)CO)C2=NC(=O)NC(=O)C2=N1
SMILESOpenEye OEToolkits1.5.0CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C
Canonical SMILESCACTVS3.341 CC1=C(C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C
InChIInChI1.03 InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1
InChIKeyInChI1.03 SXDXRJZUAJBNFL-XKSSXDPKSA-N

Related Resource References

Resource NameReference
PubChem 168989
ChEBI CHEBI:17601