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CHEBI:44411 - NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE

Default Structure
ChEBI IDCHEBI:44411
ChEBI NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE
Stars
DownloadsMolfile
FormulaC26H35N8O18P2
Net Charge+1
Average Mass809.552
Monoisotopic Mass809.15391
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)[C@@]([H])(O[H])c1c([H])c([H])[n+]([C@]2([H])O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]3([H])O[C@@]([H])(n4c([H])nc5c(N([H])[H])nc([H])nc54)[C@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])c([H])c1C(=O)N([H])[H]
InChIInChI=1S/C26H34N8O18P2/c27-11(26(42)43)3-12(35)16(36)9-1-2-33(4-10(9)22(29)41)24-19(39)17(37)13(50-24)5-48-53(44,45)52-54(46,47)49-6-14-18(38)20(40)25(51-14)34-8-32-15-21(28)30-7-31-23(15)34/h1-2,4,7-8,11,13-14,16-20,24-25,36-40H,3,5-6,27H2,(H6-,28,29,30,31,41,42,43,44,45,46,47)/p+1/t11-,13+,14+,16-,17+,18+,19+,20+,24+,25+/m0/s1
InChIKeyRSVNLFPFYXGAGU-GIBQRGJUSA-O
ChEBI Ontology
Outgoing Relation(s)
NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE (CHEBI:44411) is a unclassifieds (CHEBI:27189)
Synonym  Source
NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINEPDBeChem
Manual XrefsDatabases
NHOPDBeChem