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Nicotinic acid riboside

CAT: 0931-T67407-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T67407-01Size:1 mg
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CAS Number
17720-18-2
Target
Dehydrogenase, ROS, Endogenous Metabolite, Nrf2
Related Pathways
Metabolism, Immunology/Inflammation
Purity
0.9957
Bioactivity
Nicotinic acid riboside is a natural product and a precursor of NAD+, maintaining NAD+ homeostasis, regulating Nrf-2/P62-related oxidative stress and autophagy, reducing MDA, LDH, and ROS levels, and promoting cardiac SOD and glutathione (GSH) activity.
Smiles
O[C@H]1[C@@H](O[C@H](CO)[C@H]1O)[N+]=2C=C(C([O-])=O)C=CC2
Molecular Formula
C11H13NO6
Molecular Weight
255.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

D-Ribosylnicotinate

D-ribosylnicotinate is conjugate base of D-ribosylnicotinic acid. It has a role as a human metabolite. It is a conjugate base of a D-ribosylnicotinic acid.

CAS Number17720-18-2
PubChem CID161233
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate
Molecular FormulaC11H13NO6
Molecular Weight255.22
XLogP-0.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity306
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)[O-]
InChI
InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1
InChIKey
PUEDDPCUCPRQNY-ZYUZMQFOSA-N
Chemical Structure
2D Structure
2D structure of D-Ribosylnicotinate
CAS: 17720-18-2
CID: 161233
Formula: C11H13NO6
MW: 255.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight255.22
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass255.07428713
Monoisotopic Mass255.07428713
Topological Polar Surface Area114 Ų
Heavy Atom Count18
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes