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CHEBI:47577 - NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE

Default Structure
ChEBI IDCHEBI:47577
ChEBI NameNICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE
Stars
DownloadsMolfile
FormulaC21H27BrN7O17P3
Net Charge0
Average Mass822.305
Monoisotopic Mass820.98596
SMILES[H]O[C@@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])[C@]([H])(n2c(Br)nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])O[P@](=O)([O-])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/C21H27BrN7O17P3/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(45-47(34,35)36)13(31)10(44-20)6-42-49(39,40)46-48(37,38)41-5-9-12(30)14(32)19(43-9)28-3-1-2-8(4-28)17(24)33/h1-4,7,9-10,12-15,19-20,30-32H,5-6H2,(H7-,23,24,25,26,33,34,35,36,37,38,39,40)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
InChIKeyMDKMTCCUJSRQGW-NAJQWHGHSA-N
ChEBI Ontology
Outgoing Relation(s)
NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE (CHEBI:47577) is a unclassifieds (CHEBI:27189)
Synonym  Source
NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATEPDBeChem
Manual XrefsDatabases
NBPPDBeChem