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CHEBI:40333 - NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:40333
ChEBI NameNICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC21H27IN7O14P2
Net Charge+1
Average Mass790.334
Monoisotopic Mass790.01305
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c(I)nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([n+]2c([H])c([H])c([H])c(C(=O)N([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C21H26IN7O14P2/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(33)13(31)10(42-20)6-40-45(37,38)43-44(35,36)39-5-9-12(30)14(32)19(41-9)28-3-1-2-8(4-28)17(24)34/h1-4,7,9-10,12-15,19-20,30-33H,5-6H2,(H5-,23,24,25,26,34,35,36,37,38)/p+1/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
InChIKeyUVGUXLRSEVQZMG-NAJQWHGHSA-O
ChEBI Ontology
Outgoing Relation(s)
NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE (CHEBI:40333) is a unclassifieds (CHEBI:27189)
Synonym  Source
NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
8IDPDBeChem