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Reference substances

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IUPAC name:
nadide

Inventory

EC number:
200-184-4
EC name:
Nadide
CAS number:
53-84-9
CAS number:
53-84-9
Synonyms
Names:
Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt
Adenosine 5'-(trihydrogen diphosphate), P'<
nadide

Molecular and structural information

Molecular formula:
C21H27N7O14P2
Molecular weight:
663.425
SMILES notation:
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
InChl:
InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)
Structural formula:
Chemical structure

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