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Also known as: Nicotinamide mononucleotide, Nicotinamide ribotide, Nmn(+), 3-carbamoyl-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridinium, Nicotinamide ribonucleoside 5'-phosphate, Beta-delta-nmn
Molecular Formula
C11H16N2O8P+
Molecular Weight
335.23  g/mol
InChI Key
DAYLJWODMCOQEW-TURQNECASA-O

Nicotinamide Mononucleotide
3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN.
1 2D Structure

Nicotinamide Mononucleotide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
2.1.2 InChI
InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1
2.1.3 InChI Key
DAYLJWODMCOQEW-TURQNECASA-O
2.1.4 Canonical SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
2.1.5 Isomeric SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Mononucleotide, Nicotinamide

2. Nicotinamide Mononucleotide

2.2.2 Depositor-Supplied Synonyms

1. Nicotinamide Mononucleotide

2. Nicotinamide Ribotide

3. Nmn(+)

4. 3-carbamoyl-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridinium

5. Nicotinamide Ribonucleoside 5'-phosphate

6. Beta-delta-nmn

7. B-nmn

8. B-d-nmn

9. Schembl6858129

10. Chebi:14648

11. Dtxsid401175036

12. Zinc4228273

13. S5259

14. Q27108984

15. 3-(aminocarbonyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridinium

16. 3-carbamoyl-1-b-d-ribofuranosylpyridinium Hydroxide 5'-phosphate Inner Salt

17. 3-(aminocarbonyl)-1-(5-o-phosphono-b-d-ribofuranosyl)-pyridinium Hydroxide Inner Salt

18. 3-(aminocarbonyl)-1-(5-o-phosphono-b-d-ribofuranosyl)-pyridinium Inner Salt

19. 3-(aminocarbonyl)-1-(5-o-phosphono-beta-delta-ribofuranosyl)-pyridinium Inner Salt

20. 3-carbamoyl-1-beta-delta-ribofuranosylpyridinium Hydroxide 5'-phosphate Inner Salt

21. 3-(aminocarbonyl)-1-(5-o-phosphono-beta-delta-ribofuranosyl)-pyridinium Hydroxide Inner Salt

22. 75414-16-3

2.3 Create Date
2005-06-08
3 Chemical and Physical Properties
Molecular Weight 335.23 g/mol
Molecular Formula C11H16N2O8P+
XLogP3-3.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass335.06442747 g/mol
Monoisotopic Mass335.06442747 g/mol
Topological Polar Surface Area163 Ų
Heavy Atom Count22
Formal Charge1
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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11-Dec-2021
11-Nov-2024
KGS
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Average Price (USD/KGS)

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Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

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(USD/KGS)
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