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CHEBI:44721 - 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE

Default Structure
ChEBI IDCHEBI:44721
ChEBI Name4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE
Stars
DownloadsMolfile
FormulaC21H29N7O18P3
Net Charge+1
Average Mass760.416
Monoisotopic Mass760.07764
SMILES[H]O[C@@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])[C@]([H])(n2c([H])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+]2=C([H])[C@]([H])(C(=O)N([H])[H])C(=O)C([H])=C2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C21H28N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)11(44-21)5-42-49(39,40)46-48(37,38)41-4-10-13(30)15(32)20(43-10)27-2-1-9(29)8(3-27)18(23)33/h1-3,6-8,10-11,13-16,20-21,30-32H,4-5H2,(H7-,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t8-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1
InChIKeyPIXSDSMVQQICPA-BYJCYCELSA-O
ChEBI Ontology
Outgoing Relation(s)
4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE (CHEBI:44721) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATEPDBeChem
Manual XrefsDatabases
ODPPDBeChem