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CHEBI:46183 - 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:46183
ChEBI Name1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC21H31N7O14P2
Net Charge0
Average Mass667.462
Monoisotopic Mass667.14042
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C([H])([H])C([H])=C([H])[C@]([H])(C(=O)N([H])[H])C2([H])[H])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])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C21H31N7O14P2/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/h1-2,7-11,13-16,20-21,29-32H,3-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t9-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1
InChIKeyGFDCQHGWOHYWLP-ILTSWSAWSA-N
ChEBI Ontology
Outgoing Relation(s)
1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE (CHEBI:46183) is a unclassifieds (CHEBI:27189)
Synonym  Source
1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDEPDBeChem
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