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CHEBI:44264 - nicotinamide guanine dinucleotide

Default Structure
ChEBI IDCHEBI:44264
ChEBI Namenicotinamide guanine dinucleotide
Stars
Last Modified11 December 2007
DownloadsMolfile
FormulaC21H28N7O15P2
Net Charge+1
Average Mass680.437
Monoisotopic Mass680.11131
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(=O)n([H])c(N([H])[H])nc32)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])([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/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(31)12(29)9(41-19)5-39-44(35,36)43-45(37,38)40-6-10-13(30)15(32)20(42-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/p+1/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
InChIKeyNCFRZZVNRVEQJK-NAJQWHGHSA-O
ChEBI Ontology
Outgoing Relation(s)
nicotinamide guanine dinucleotide (CHEBI:44264) is a nicotinamide dinucleotide (CHEBI:37007)
Synonym  Source
3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]PYRIDINIUMPDBeChem
Manual XrefsDatabases
NGDPDBeChem