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 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 41 |
Chiral Atom Count | 3 |
Bond Count | 42 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol |
Synonyms | 6,7-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 |
Formula | C13 H18 N4 O6 |
Molecular Weight | 326.305 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO |
SMILES | CACTVS | 3.341 | CC1=C(C)N(C[CH](O)[CH](O)[CH](O)CO)C2=NC(=O)NC(=O)C2=N1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C |
Canonical SMILES | CACTVS | 3.341 | CC1=C(C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | SXDXRJZUAJBNFL-XKSSXDPKSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 168989 |
ChEBI | CHEBI:17601 |