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CHEBI:44291 - NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)

Default Structure
ChEBI IDCHEBI:44291
ChEBI NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
Stars
DownloadsMolfile
FormulaC21H27N7O14P2
Net Charge0
Average Mass663.430
Monoisotopic Mass663.10912
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@@]([H])([n+]2c([H])c([H])c([H])c(C(=O)N([H])[H])c2[H])O[C@@]1([H])C([H])([H])O[P@@](=O)([O-])O[P@@](=O)([O-])OC([H])([H])[C@@]1([H])O[C@]([H])(n2c([H])nc3c(N([H])[H])[n+]([H])c([H])nc32)[C@@]([H])(O[H])[C@@]1([H])O[H]
InChIInChI=1S/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)/t10-,11+,13+,14-,15+,16-,20-,21-/m0/s1
InChIKeyBAWFJGJZGIEFAR-ZXGLXNMYSA-N
ChEBI Ontology
Outgoing Relation(s)
NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) (CHEBI:44291) is a unclassifieds (CHEBI:27189)
Synonym  Source
NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)PDBeChem
Manual XrefsDatabases
NAJPDBeChem