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Deamino-NAD

CAT: 0804-HY-127127Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-127127Size:1 Each
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Description
Deamino-NAD is a structural analog of NAD+. Deamino-NAD is involved in glycolysis as a substrate for rabbit muscle glyceraldehyde 3-phosphate dehydrogenase (GPDH), with a Km of 2300 pm, and a Kd of 112 pm[1].
CAS Number
1851-07-6
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/deamino-nad.html
Smiles
O=C1C(N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](COP(OP(OC[C@H]4O[C@@H]([N+]5=CC(C(N)=O)=CC=C5)[C@H](O)[C@@H]4O)([O-])=O)(O)=O)O3)=C2NC=N1
Molecular Formula
C21H26N6O15P2
Molecular Weight
664.41
References & Citations
[1]Eby D, et al., Interaction of nicotinamide-adenine dinucleotide and its analogs with glyceraldehyde 3-phosphate dehydrogenase. Biochemistry. 1971 Jul 6;10 (14) :2677-82.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Nicotinamide-hypoxanthine dinucleotide
CAS Number1851-07-6
PubChem CID135421870
IUPAC Name[[5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
Molecular FormulaC21H27N6O15P2+
Molecular Weight665.4
XLogP-6.2
Topological Polar Surface Area308
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge1
Complexity1220
SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CNC5=O)O)O)O)O)C(=O)N
InChI
InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1
InChIKey
DGVSIBCCYUVRNA-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Nicotinamide-hypoxanthine dinucleotide
CAS: 1851-07-6
CID: 135421870
Formula: C21H27N6O15P2+
MW: 665.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.4
XLogP3-6.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Exact Mass665.10096317
Monoisotopic Mass665.10096317
Topological Polar Surface Area308 Ų
Heavy Atom Count44
Formal Charge1
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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