Wikidata

(Q27463790)

English

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]pyridini

chemical compound

In more languages

Statements

mass
680.112±0 dalton
1 reference
stated in
PubChem
PubChem CID
3080617
language of work or name
English
title
Nicotinamide guanine dinucleotide (English)
retrieved
19 October 2016
chemical formula
C₂₁H₂₈N₇O₁₅P₂⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O)O)O)C(=O)N
1 reference
stated in
PubChem
PubChem CID
3080617
language of work or name
English
title
Nicotinamide guanine dinucleotide (English)
retrieved
19 October 2016
isomeric SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)O)O)O)O)C(=O)N
1 reference
stated in
PubChem
PubChem CID
3080617
language of work or name
English
title
Nicotinamide guanine dinucleotide (English)
retrieved
19 October 2016

Identifiers

InChIKey
NCFRZZVNRVEQJK-NAJQWHGHSA-O
1 reference
stated in
PubChem
PubChem CID
3080617
language of work or name
English
title
Nicotinamide guanine dinucleotide (English)
retrieved
19 October 2016
ChemSpider ID
2338369
1 reference
stated in
ChemSpider
ChemSpider ID
2338369
language of work or name
English
title
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl (English)
retrieved
19 October 2016
PDB ligand ID
NGD
0 references
 
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