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CHEBI:45870 - 1,3-thiazole-4-carboxamide adenine β-methylene-dinucleotide

ChEBI IDCHEBI:45870
ChEBI Name1,3-thiazole-4-carboxamide adenine β-methylene-dinucleotide
Stars
ASCII Name1,3-thiazole-4-carboxamide adenine beta-methylene-dinucleotide
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H27N7O13P2S
Net Charge0
Average Mass667.487
Monoisotopic Mass667.08628
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(c2nc(C(=O)N([H])[H])c([H])s2)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]
InChIInChI=1S/C20H27N7O13P2S/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
InChIKeyCRWWKLKZKYLFQV-HVIRUEHBSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-thiazole-4-carboxamide adenine β-methylene-dinucleotide (CHEBI:45870) has functional parent adenosine 5'-methylenediphosphate (CHEBI:40730)
1,3-thiazole-4-carboxamide adenine β-methylene-dinucleotide (CHEBI:45870) is a 1,3-thiazolecarboxamide (CHEBI:48890)
1,3-thiazole-4-carboxamide adenine β-methylene-dinucleotide (CHEBI:45870) is a dinucleotide analogue (CHEBI:48103)
Synonyms  Source
BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDEPDBeChem
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (R,S)-phosphonate] (non-preferred name)PDBeChem
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