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CHEBI:45871 - 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

Default Structure
ChEBI IDCHEBI:45871
ChEBI Name7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Stars
DownloadsMolfile
FormulaC21H28N7O16P3S
Net Charge0
Average Mass759.477
Monoisotopic Mass759.05261
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-])OC([H])([H])[C@@]1([H])O[C@@]([H])([n+]2c([H])c([H])c([H])c(C(=S)N([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyOJNFDOAQUXJWED-NNYOXOHSSA-N
ChEBI Ontology
Outgoing Relation(s)
7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (CHEBI:45871) is a unclassifieds (CHEBI:27189)
Synonym  Source
7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEPDBeChem
Manual XrefsDatabases
TAPPDBeChem