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CHEBI:47668 - 1,3-selenazole-4-carboxamide adenine β-methylenedinucleotide
| Formula | C20H27N7O13P2Se |
| Net Charge | 0 |
| Average Mass | 714.380 |
| Monoisotopic Mass | 715.03073 |
| SMILES | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(c2nc(C(=O)N([H])[H])c([H])[se]2)O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])C([H])([H])[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(O[H])[C@]1([H])O[H] |
| InChI | InChI=1S/C20H27N7O13P2Se/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1 |
| InChIKey | BQVYVGJIUMNETO-HVIRUEHBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,3-selenazole-4-carboxamide adenine β-methylenedinucleotide (CHEBI:47668) has functional parent adenosine 5'-methylenediphosphate (CHEBI:40730) |
| 1,3-selenazole-4-carboxamide adenine β-methylenedinucleotide (CHEBI:47668) is a C-nucleoside phosphate (CHEBI:37040) |
| 1,3-selenazole-4-carboxamide adenine β-methylenedinucleotide (CHEBI:47668) is a dinucleotide analogue (CHEBI:48103) |
| 1,3-selenazole-4-carboxamide adenine β-methylenedinucleotide (CHEBI:47668) is a monocarboxylic acid amide (CHEBI:29347) |
| 1,3-selenazole-4-carboxamide adenine β-methylenedinucleotide (CHEBI:47668) is a selenazole (CHEBI:48101) |
| Synonyms | Source |
|---|---|
| BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE | PDBeChem |
| [(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (R,S)-phosphonate] (non-preferred name) | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| SAD | PDBeChem |