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CHEBI:44289 - NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT

Default Structure
ChEBI IDCHEBI:44289
ChEBI NameNICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
Stars
DownloadsMolfile
FormulaC24H31N7O15P2
Net Charge0
Average Mass719.494
Monoisotopic Mass719.13534
SMILES[H]O[C@@]1([H])[C@@]([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(C([H])([H])C(=O)C([H])([H])[H])c(C(=O)N([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C24H31N7O15P2/c1-10(32)4-11-2-3-30(5-12(11)21(26)37)23-18(35)16(33)13(44-23)6-42-47(38,39)46-48(40,41)43-7-14-17(34)19(36)24(45-14)31-9-29-15-20(25)27-8-28-22(15)31/h2-3,5,8-9,13-14,16-19,23-24,33-36H,4,6-7H2,1H3,(H5-,25,26,27,28,37,38,39,40,41)/t13-,14-,16-,17-,18-,19-,23-,24-/m1/s1
InChIKeySGHBFOOIAAJJMI-YDKVLQLQSA-N
ChEBI Ontology
Outgoing Relation(s)
NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT (CHEBI:44289) is a unclassifieds (CHEBI:27189)
Synonym  Source
NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCTPDBeChem
Manual XrefsDatabases
NAEPDBeChem