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CHEBI:44421 - N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:44421
ChEBI NameN6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC28H33N7O14P2
Net Charge0
Average Mass753.555
Monoisotopic Mass753.15607
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])C([H])([H])c4c([H])c([H])c([H])c([H])c4[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(=O)N([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C28H33N7O14P2/c29-24(40)16-7-4-8-34(10-16)27-22(38)20(36)17(47-27)11-45-50(41,42)49-51(43,44)46-12-18-21(37)23(39)28(48-18)35-14-33-19-25(31-13-32-26(19)35)30-9-15-5-2-1-3-6-15/h1-8,10,13-14,17-18,20-23,27-28,36-39H,9,11-12H2,(H4-,29,30,31,32,40,41,42,43,44)/t17-,18-,20-,21-,22-,23-,27-,28-/m1/s1
InChIKeyPDNSIRRMIDXSBH-INGGVVRRSA-N
ChEBI Ontology
Outgoing Relation(s)
N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE (CHEBI:44421) is a unclassifieds (CHEBI:27189)
Synonym  Source
N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
NBDPDBeChem