NNR

Nicotinamide riboside

Created:	2007-08-06
Last modified:	2020-06-05

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6 entries where NNR is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	33
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	6

2D diagram of NNR

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Chemical Component Summary
Name	Nicotinamide riboside
Synonyms	3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium
Systematic Name (OpenEye OEToolkits)	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide
Formula	C₁₁ H₁₅ N₂ O₅
Molecular Weight	255.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N
SMILES	CACTVS	3.341	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N
Canonical SMILES	CACTVS	3.341	NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI	InChI	1.03	InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1
InChIKey	InChI	1.03	JLEBZPBDRKPWTD-TURQNECASA-O

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB14933
Name	Nicotinamide riboside
Groups	investigational
Description	Nicotinamide riboside is under investigation in clinical trial NCT03432871 (Nicotinamide Riboside and Mitochondrial Biogenesis).
Synonyms	Nicotinamide riboside Nicotinamide riboside chloride
Categories	Nicotinic Acids Pyridines
CAS number	1341-23-7

Related Resource References

Resource Name	Reference
PubChem	439924
ChEMBL	CHEMBL438497
ChEBI	CHEBI:15927
CCDC/CSD	TOHXUM, OSEGIF, OSEGUR, OSEGOL, OSEGEB, OSEHAY, TOHYEX

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