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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (17) Show 17 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:39:00 UTC

HMDB ID

HMDB0001132

Secondary Accession Numbers

HMDB0059646
HMDB01132
HMDB59646

Metabolite Identification

Common Name

Nicotinic acid mononucleotide

Description

Nicotinic acid mononucleotide, also known as nicotinate ribonucleotide, belongs to the class of organic compounds known as nicotinic acid nucleotides. These are pyridine nucleotides in which the pyridine base is nicotinic acid or a derivative thereof. Nicotinic acid mononucleotide is an extremely weak basic (essentially neutral) compound (based on its pKa). Nicotinic acid mononucleotide an intermediate in the cofactor biosynthesis and the nicotinate and nicotinamide metabolism pathways. It is a substrate for nicotinamide riboside kinase, ectonucleotide pyrophosphatase/phosphodiesterase, nicotinamide mononucleotide adenylyltransferase, 5'-nucleotidase, nicotinate-nucleotide pyrophosphorylase, and 5'(3')-deoxyribonucleotidase.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001132
     RDKit          3D
Nicotinic acid mononucleotide
 37 38  0  0  0  0  0  0  0  0999 V2000
    5.3723   -0.6660    1.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    0.0560    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4862    0.6984   -0.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    0.2038   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    0.9999   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    1.1003   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6915    0.4445   -1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689   -0.3134   -0.5959 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.6225   -1.0308   -0.0831 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4104   -1.1077   -0.9794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -1.2665   -0.3133 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6459   -0.2635   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353   -0.4874   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379    0.5848   -0.4818 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.4214    0.3592   -1.9462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5098    2.1934   -0.2579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709    0.3299    0.5183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431   -1.0270    1.1573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0764   -2.2287    1.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0043   -0.2808    1.0916 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7223   -0.4196    2.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402   -0.4250    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394    1.6965    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9240    1.5139   -1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609    1.7239   -3.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    0.5254   -2.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194   -2.0161    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702   -2.2980   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -0.4099   -1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2803    0.7600   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2413    2.7422    0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9770    1.1251    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.4260    1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -2.5691    2.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.7588    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801    0.4712    2.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899   -1.0521    0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 11 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  8 22  2  0
 22  4  1  0
 20  9  1  0
  3 23  1  0
  5 24  1  0
  6 25  1  0
  7 26  1  0
  9 27  1  1
 11 28  1  1
 12 29  1  0
 12 30  1  0
 16 31  1  0
 17 32  1  0
 18 33  1  1
 19 34  1  0
 20 35  1  6
 21 36  1  0
 22 37  1  0
M  CHG  1   8   1
M  END


  Mrv1652305012018142D          

 22 23  0  0  0  0            999 V2000
 9999.478110001.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.271510001.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7382 9999.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.454910000.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.819510000.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.1695 9999.6744    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1037 9999.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.819510000.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.7585 9998.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.886210000.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.5847 9998.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.252110000.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5377 9999.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5377 9998.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2521 9998.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9666 9998.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9666 9999.6733    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
10000.3565 9999.5936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.689110000.0786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.944010000.8632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.769010000.8632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.023910000.0786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13  5  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 20  1  1  6  0  0  0
 19 17  1  1  0  0  0
 21  2  1  6  0  0  0
 22  3  1  1  0  0  0
M  CHG  1  17   1
M  END
> <DATABASE_ID>
HMDB0001132

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CC=CC(=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1

> <INCHI_KEY>
JOUIQRNQJGXQDC-ZYUZMQFOSA-O

> <FORMULA>
C11H15NO9P

> <MOLECULAR_WEIGHT>
336.2119

> <EXACT_MASS>
336.048442595

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
28.664880155700757

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1lambda5-pyridin-1-ylium

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
-5.437405301471745

> <ALOGPS_LOGS>
-2.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.769972865112575

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.200840941351724

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7319661030900226

> <JCHEM_POLAR_SURFACE_AREA>
157.63000000000002

> <JCHEM_REFRACTIVITY>
69.8852

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1lambda5-pyridin-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001132
     RDKit          3D
Nicotinic acid mononucleotide
 37 38  0  0  0  0  0  0  0  0999 V2000
    5.3723   -0.6660    1.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    0.0560    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4862    0.6984   -0.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    0.2038   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    0.9999   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    1.1003   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6915    0.4445   -1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689   -0.3134   -0.5959 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.6225   -1.0308   -0.0831 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4104   -1.1077   -0.9794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -1.2665   -0.3133 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6459   -0.2635   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353   -0.4874   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379    0.5848   -0.4818 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.4214    0.3592   -1.9462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5098    2.1934   -0.2579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709    0.3299    0.5183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431   -1.0270    1.1573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0764   -2.2287    1.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0043   -0.2808    1.0916 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7223   -0.4196    2.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402   -0.4250    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394    1.6965    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9240    1.5139   -1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609    1.7239   -3.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    0.5254   -2.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194   -2.0161    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702   -2.2980   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -0.4099   -1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2803    0.7600   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2413    2.7422    0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9770    1.1251    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.4260    1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -2.5691    2.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.7588    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801    0.4712    2.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899   -1.0521    0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 11 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  8 22  2  0
 22  4  1  0
 20  9  1  0
  3 23  1  0
  5 24  1  0
  6 25  1  0
  7 26  1  0
  9 27  1  1
 11 28  1  1
 12 29  1  0
 12 30  1  0
 16 31  1  0
 17 32  1  0
 18 33  1  1
 19 34  1  0
 20 35  1  6
 21 36  1  0
 22 37  1  0
M  CHG  1   8   1
M  END

HEADER    PROTEIN                                 01-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-MAY-20         0                                  
HETATM    1  O   UNK     0    8665.6928669.535   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8669.0408669.519   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8669.9118666.059   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8671.2498666.828   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8660.7308666.828   0.000  0.00  0.00           C+0
HETATM    6  P   UNK     0    8672.5838666.059   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0    8659.3948666.059   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8660.7308668.370   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8671.8168664.723   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8673.9218666.828   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8673.3588664.723   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8663.4048666.827   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8662.0708666.057   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8662.0708664.517   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8663.4048663.747   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8664.7388664.517   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0    8664.7388666.057   0.000  0.00  0.00           N+1
HETATM   18  O   UNK     0    8667.3328665.908   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0    8666.0868666.813   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8666.5628668.278   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8668.1028668.278   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8668.5788666.813   0.000  0.00  0.00           C+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3    4   22                                                       
CONECT    4    3    6                                                       
CONECT    5    7    8   13                                                  
CONECT    6    4    9   10   11                                             
CONECT    7    5                                                            
CONECT    8    5                                                            
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    6                                                            
CONECT   12   13   17                                                       
CONECT   13   12   14    5                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12   19                                                  
CONECT   18   19   22                                                       
CONECT   19   20   18   17                                                  
CONECT   20   19   21    1                                                  
CONECT   21   20   22    2                                                  
CONECT   22   21   18    3                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

COMPND    HMDB0001132
HETATM    1  O1  UNL     1       5.372  -0.666   1.411  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.342   0.056   0.396  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.486   0.698  -0.014  1.00  0.00           O  
HETATM    4  C2  UNL     1       4.100   0.204  -0.332  1.00  0.00           C  
HETATM    5  C3  UNL     1       4.036   1.000  -1.464  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.826   1.100  -2.113  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.691   0.445  -1.680  1.00  0.00           C  
HETATM    8  N1  UNL     1       1.769  -0.313  -0.596  1.00  0.00           N1+
HETATM    9  C6  UNL     1       0.622  -1.031  -0.083  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.410  -1.108  -0.979  1.00  0.00           O  
HETATM   11  C7  UNL     1      -1.590  -1.267  -0.313  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.646  -0.264  -0.763  1.00  0.00           C  
HETATM   13  O4  UNL     1      -3.835  -0.487  -0.033  1.00  0.00           O  
HETATM   14  P1  UNL     1      -5.038   0.585  -0.482  1.00  0.00           P  
HETATM   15  O5  UNL     1      -5.421   0.359  -1.946  1.00  0.00           O  
HETATM   16  O6  UNL     1      -4.510   2.193  -0.258  1.00  0.00           O  
HETATM   17  O7  UNL     1      -6.371   0.330   0.518  1.00  0.00           O  
HETATM   18  C9  UNL     1      -1.343  -1.027   1.157  1.00  0.00           C  
HETATM   19  O8  UNL     1      -1.076  -2.229   1.839  1.00  0.00           O  
HETATM   20  C10 UNL     1      -0.004  -0.281   1.092  1.00  0.00           C  
HETATM   21  O9  UNL     1       0.722  -0.420   2.251  1.00  0.00           O  
HETATM   22  C11 UNL     1       2.940  -0.425   0.052  1.00  0.00           C  
HETATM   23  H1  UNL     1       6.639   1.697   0.055  1.00  0.00           H  
HETATM   24  H2  UNL     1       4.924   1.514  -1.803  1.00  0.00           H  
HETATM   25  H3  UNL     1       2.761   1.724  -3.005  1.00  0.00           H  
HETATM   26  H4  UNL     1       0.737   0.525  -2.194  1.00  0.00           H  
HETATM   27  H5  UNL     1       0.919  -2.016   0.310  1.00  0.00           H  
HETATM   28  H6  UNL     1      -1.970  -2.298  -0.502  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.914  -0.410  -1.830  1.00  0.00           H  
HETATM   30  H8  UNL     1      -2.280   0.760  -0.610  1.00  0.00           H  
HETATM   31  H9  UNL     1      -5.241   2.742   0.110  1.00  0.00           H  
HETATM   32  H10 UNL     1      -6.977   1.125   0.525  1.00  0.00           H  
HETATM   33  H11 UNL     1      -2.108  -0.426   1.647  1.00  0.00           H  
HETATM   34  H12 UNL     1      -1.871  -2.569   2.313  1.00  0.00           H  
HETATM   35  H13 UNL     1      -0.252   0.759   0.839  1.00  0.00           H  
HETATM   36  H14 UNL     1       0.980   0.471   2.610  1.00  0.00           H  
HETATM   37  H15 UNL     1       2.990  -1.052   0.943  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   23
CONECT    4    5    5   22
CONECT    5    6   24
CONECT    6    7    7   25
CONECT    7    8   26
CONECT    8    9   22   22
CONECT    9   10   20   27
CONECT   10   11
CONECT   11   12   18   28
CONECT   12   13   29   30
CONECT   13   14
CONECT   14   15   15   16   17
CONECT   16   31
CONECT   17   32
CONECT   18   19   20   33
CONECT   19   34
CONECT   20   21   35
CONECT   21   36
CONECT   22   37
END

HMDB0001132
     RDKit          3D
Nicotinic acid mononucleotide
 37 38  0  0  0  0  0  0  0  0999 V2000
    5.3723   -0.6660    1.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    0.0560    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4862    0.6984   -0.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    0.2038   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    0.9999   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    1.1003   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6915    0.4445   -1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689   -0.3134   -0.5959 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.6225   -1.0308   -0.0831 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4104   -1.1077   -0.9794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -1.2665   -0.3133 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6459   -0.2635   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353   -0.4874   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379    0.5848   -0.4818 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.4214    0.3592   -1.9462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5098    2.1934   -0.2579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709    0.3299    0.5183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431   -1.0270    1.1573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0764   -2.2287    1.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0043   -0.2808    1.0916 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7223   -0.4196    2.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402   -0.4250    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394    1.6965    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9240    1.5139   -1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609    1.7239   -3.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    0.5254   -2.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194   -2.0161    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702   -2.2980   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -0.4099   -1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2803    0.7600   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2413    2.7422    0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9770    1.1251    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.4260    1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -2.5691    2.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.7588    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801    0.4712    2.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899   -1.0521    0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 11 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  8 22  2  0
 22  4  1  0
 20  9  1  0
  3 23  1  0
  5 24  1  0
  6 25  1  0
  7 26  1  0
  9 27  1  1
 11 28  1  1
 12 29  1  0
 12 30  1  0
 16 31  1  0
 17 32  1  0
 18 33  1  1
 19 34  1  0
 20 35  1  6
 21 36  1  0
 22 37  1  0
M  CHG  1   8   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
beta-Nicotinate D-ribonucleotide	ChEBI
Nicotinate ribonucleotide	ChEBI
Nicotinic acid ribonucleotide	ChEBI
b-Nicotinate D-ribonucleotide	Generator
b-Nicotinic acid D-ribonucleotide	Generator
beta-Nicotinic acid D-ribonucleotide	Generator
β-Nicotinate D-ribonucleotide	Generator
β-Nicotinic acid D-ribonucleotide	Generator
Nicotinic acid D-ribonucleotide	Generator
Nicotinate D-ribonucleotide	ChEBI
Nicotinate b-D-ribonucleotide	Generator
Nicotinate β-D-ribonucleotide	Generator
Nicotinic acid b-D-ribonucleotide	Generator
Nicotinic acid beta-D-ribonucleotide	Generator
Nicotinic acid β-D-ribonucleotide	Generator
Nicotinate mononucleotide	MeSH
Nicotinic acid mononucleotide	MeSH
Deamido nicotinamide ribonucleotide	HMDB
Deamido-NMN	HMDB
Nicotinic acid ribotide	HMDB
Nicotinic mononucleotide	HMDB
beta-Nicotinic acid mononucleotide	HMDB
β-Nicotinic acid mononucleotide	HMDB

Chemical Formula

C₁₁H₁₅NO₉P

Average Molecular Weight

336.2119

Monoisotopic Molecular Weight

336.048442595

IUPAC Name

3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1lambda5-pyridin-1-ylium

Traditional Name

3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1lambda5-pyridin-1-ylium

CAS Registry Number

321-02-8

SMILES

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CC=CC(=C1)C(O)=O

InChI Identifier

InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1

InChI Key

JOUIQRNQJGXQDC-ZYUZMQFOSA-O

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as nicotinic acid nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinic acid or a derivative thereof.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyridine nucleotides

Sub Class

Nicotinic acid nucleotides

Direct Parent

Nicotinic acid nucleotides

Alternative Parents

Substituents

Nicotinic-acid-nucleotide
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Pentose monosaccharide
Pyridine carboxylic acid
Pyridine carboxylic acid or derivatives
Monoalkyl phosphate
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Pyridine
Pyridinium
Alkyl phosphate
Vinylogous amide
Tetrahydrofuran
Heteroaromatic compound
Secondary alcohol
1,2-diol
Carboxylic acid derivative
Organoheterocyclic compound
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Oxacycle
Organopnictogen compound
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Alcohol
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic cation
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nicotinic acid mononucleotide (CHEBI:15763 )
Pyridine alkaloids (C01185 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Organelle

Mitochondria

Mitochondria (HMDB: HMDB0001132)

Cytoplasm (HMDB: HMDB0001132)

Source

Endogenous

Endogenous (HMDB: HMDB0001132)

Squab (FooDB: FOOD00481)
Pheasant (FooDB: FOOD00430)
Turkey (FooDB: FOOD00494)
Anatidae (FooDB: FOOD00576)
Quail (FooDB: FOOD00541)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Guinea hen (FooDB: FOOD00373)
Greylag goose (FooDB: FOOD00368)
Velvet duck (FooDB: FOOD00427)
Ostrich (FooDB: FOOD00422)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Bovine

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Nicotinate and Nicotinamide Metabolism (HMDB: HMDB0001132)
NAD Metabolism (PathBank: SMP0002338)

Nicotinate and Nicotinamide Metabolism (HMDB: HMDB0001132)

Signaling pathway

NAD+ Signalling Pathway (Cancer) (PathBank: SMP0083297)
NAD+ Signalling and Aging (PathBank: SMP0084271)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	9.83 g/L	ALOGPS
logP	-0.99	ALOGPS
logP	-5.4	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	1.2	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	157.63 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	69.89 m³·mol⁻¹	ChemAxon
Polarizability	28.66 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	173.993	31661259
DarkChem	[M-H]-	170.453	31661259
AllCCS	[M+H]+	171.307	32859911
AllCCS	[M-H]-	168.004	32859911
DeepCCS	[M+H]+	164.158	30932474
DeepCCS	[M-H]-	161.762	30932474
DeepCCS	[M-2H]-	195.928	30932474
DeepCCS	[M+Na]+	170.6	30932474
AllCCS	[M+H]+	171.3	32859911
AllCCS	[M+H-H2O]+	168.3	32859911
AllCCS	[M+NH4]+	174.1	32859911
AllCCS	[M+Na]+	174.9	32859911
AllCCS	[M-H]-	168.0	32859911
AllCCS	[M+Na-2H]-	167.6	32859911
AllCCS	[M+HCOO]-	167.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Nicotinic acid mononucleotide	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CC=CC(=C1)C(O)=O	4037.3	Standard polar	33892256
Nicotinic acid mononucleotide	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CC=CC(=C1)C(O)=O	2379.7	Standard non polar	33892256
Nicotinic acid mononucleotide	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CC=CC(=C1)C(O)=O	2875.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Nicotinic acid mononucleotide,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O	2792.1	Semi standard non polar	33892256
Nicotinic acid mononucleotide,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1	2823.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,1TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)=C1	2764.6	Semi standard non polar	33892256
Nicotinic acid mononucleotide,1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@H](O)[C@@H]1O	2943.5	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	2664.2	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C	2711.0	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O	2825.2	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	2687.6	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1	2858.2	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TMS,isomer #6	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C1	2797.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2914.9	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	2636.6	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	2761.3	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C	2780.6	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O	2857.0	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	2783.8	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1	2877.7	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C1	2825.0	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	2776.6	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	2861.4	Standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	3285.8	Standard polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	2816.9	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	2867.4	Standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1	3136.5	Standard polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C	2851.9	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C	2946.7	Standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C	3120.2	Standard polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	2830.8	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	2879.9	Standard non polar	33892256
Nicotinic acid mononucleotide,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1	3169.6	Standard polar	33892256
Nicotinic acid mononucleotide,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	2826.8	Semi standard non polar	33892256
Nicotinic acid mononucleotide,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	2865.2	Standard non polar	33892256
Nicotinic acid mononucleotide,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	3008.3	Standard polar	33892256
Nicotinic acid mononucleotide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O	3061.1	Semi standard non polar	33892256
Nicotinic acid mononucleotide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1	3079.0	Semi standard non polar	33892256
Nicotinic acid mononucleotide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)=C1	3056.5	Semi standard non polar	33892256
Nicotinic acid mononucleotide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@H](O)[C@@H]1O	3184.5	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1	3173.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	3192.2	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O	3332.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3187.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1	3343.9	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)=C1	3307.9	Semi standard non polar	33892256
Nicotinic acid mononucleotide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3394.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3344.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1	3474.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	3472.8	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O	3544.9	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3477.5	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1	3545.8	Semi standard non polar	33892256
Nicotinic acid mononucleotide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)=C1	3528.8	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3641.8	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3581.3	Standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3564.4	Standard polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1	3680.9	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1	3561.1	Standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1	3455.0	Standard polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	3682.5	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	3668.6	Standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	3438.9	Standard polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3678.4	Semi standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3579.4	Standard non polar	33892256
Nicotinic acid mononucleotide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1	3486.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Nicotinic acid mononucleotide GC-MS (Non-derivatized) - 70eV, Positive	splash10-00kb-9704000000-b4f3d91df4a5fb88cc5e	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Nicotinic acid mononucleotide GC-MS (3 TMS) - 70eV, Positive	splash10-000b-9221310000-f2425a1cc55147b91d2b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Nicotinic acid mononucleotide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 10V, Positive-QTOF	splash10-000i-1009000000-227e6a4729b96a705fa4	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 20V, Positive-QTOF	splash10-002b-5239000000-223d08e3fd97af58d374	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 40V, Positive-QTOF	splash10-0007-9500000000-db23a80f58b7ac9781fd	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 10V, Negative-QTOF	splash10-000i-1009000000-f16974a59d3ff46358d6	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 20V, Negative-QTOF	splash10-002b-9001000000-ca67d776dd7d3f5d4650	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 40V, Negative-QTOF	splash10-004i-9000000000-5808f9bb378f2d60cd9b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 10V, Positive-QTOF	splash10-000i-0479000000-61da4c1926ec7950c051	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 20V, Positive-QTOF	splash10-00si-5950000000-2c01c6fd1632660b38c7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nicotinic acid mononucleotide 40V, Positive-QTOF	splash10-001i-9500000000-3dbb0f51364659db892e	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria
Nucleus

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Nicotinate and nicotinamide metabolism	Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB02382

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

NICOTINATE_NUCLEOTIDE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

121992

PDB ID

Not Available

ChEBI ID

15763

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Not Available

Only showing the first 10 proteins. There are 17 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. 5'-nucleotidase

General function:: Involved in hydrolase activity
Specific function:: Hydrolyzes extracellular nucleotides into membrane permeable nucleosides.
Gene Name:: NT5E
Uniprot ID:: P21589
Molecular weight:: 57948.125

Reactions

Nicotinic acid mononucleotide + Water → Nicotinic acid ribonucleoside + Phosphate	details

Enzyme Details

2. Cytosolic 5'-nucleotidase 1B

General function:: Involved in nucleotide binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides. Helps to regulate adenosine levels (By similarity).
Gene Name:: NT5C1B
Uniprot ID:: Q96P26
Molecular weight:: 68803.055

Reactions

Nicotinic acid mononucleotide + Water → Nicotinic acid ribonucleoside + Phosphate	details

Enzyme Details

3. Cytosolic 5'-nucleotidase 1A

General function:: Involved in nucleotide binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides and has a broad substrate specificity. Helps to regulate adenosine levels in heart during ischemia and hypoxia.
Gene Name:: NT5C1A
Uniprot ID:: Q9BXI3
Molecular weight:: 41020.145

Reactions

Nicotinic acid mononucleotide + Water → Nicotinic acid ribonucleoside + Phosphate	details

Enzyme Details

4. 5'(3')-deoxyribonucleotidase, cytosolic type

General function:: Involved in metal ion binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides, with a preference for dUMP and dTMP, intermediate activity towards dGMP, and low activity towards dCMP and dAMP.
Gene Name:: NT5C
Uniprot ID:: Q8TCD5
Molecular weight:: Not Available

Reactions

Nicotinic acid mononucleotide + Water → Nicotinic acid ribonucleoside + Phosphate	details

Enzyme Details

5. 5'(3')-deoxyribonucleotidase, mitochondrial

General function:: Involved in phosphatase activity
Specific function:: Dephosphorylates specifically the 5' and 2'(3')-phosphates of uracil and thymine deoxyribonucleotides, and so protects mitochondrial DNA replication from excess dTTP. Has only marginal activity towards dIMP and dGMP.
Gene Name:: NT5M
Uniprot ID:: Q9NPB1
Molecular weight:: Not Available

Reactions

Nicotinic acid mononucleotide + Water → Nicotinic acid ribonucleoside + Phosphate	details

Enzyme Details

6. Ectonucleotide pyrophosphatase/phosphodiesterase family member 1

General function:: Involved in catalytic activity
Specific function:: Involved primarily in ATP hydrolysis at the plasma membrane. Plays a role in regulating pyrophosphate levels, and functions in bone mineralization and soft tissue calcification. In vitro, has a broad specificity, hydrolyzing other nucleoside 5' triphosphates such as GTP, CTP, TTP and UTP to their corresponding monophosphates with release of pyrophosphate and diadenosine polyphosphates, and also 3',5'-cAMP to AMP. May also be involved in the regulation of the availability of nucleotide sugars in the endoplasmic reticulum and Golgi, and the regulation of purinergic signaling. Appears to modulate insulin sensitivity.
Gene Name:: ENPP1
Uniprot ID:: P22413
Molecular weight:: 104923.58

Reactions

Nicotinic acid adenine dinucleotide + Water → Adenosine monophosphate + Nicotinic acid mononucleotide	details

Enzyme Details

7. Ectonucleotide pyrophosphatase/phosphodiesterase family member 3

General function:: Involved in catalytic activity
Specific function:: Cleaves a variety of phosphodiester and phosphosulfate bonds including deoxynucleotides, nucleotide sugars, and NAD (By similarity).
Gene Name:: ENPP3
Uniprot ID:: O14638
Molecular weight:: 100123.54

Reactions

Nicotinic acid adenine dinucleotide + Water → Adenosine monophosphate + Nicotinic acid mononucleotide	details

Enzyme Details

8. Nicotinamide mononucleotide adenylyltransferase 1

General function:: Involved in nucleotidyltransferase activity
Specific function:: Catalyzes the formation of NAD(+) from nicotinamide mononucleotide (NMN) and ATP. Can also use the deamidated form; nicotinic acid mononucleotide (NaMN) as substrate with the same efficiency. Can use triazofurin monophosphate (TrMP) as substrate. Also catalyzes the reverse reaction, i.e. the pyrophosphorolytic cleavage of NAD(+). For the pyrophosphorolytic activity, prefers NAD(+) and NAAD as substrates and degrades NADH, nicotinic acid adenine dinucleotide phosphate (NHD) and nicotinamide guanine dinucleotide (NGD) less effectively. Fails to cleave phosphorylated dinucleotides NADP(+), NADPH and NAADP(+). Protects against axonal degeneration following mechanical or toxic insults.
Gene Name:: NMNAT1
Uniprot ID:: Q9HAN9
Molecular weight:: 31932.22

Reactions

Adenosine triphosphate + Nicotinic acid mononucleotide → Pyrophosphate + Nicotinic acid adenine dinucleotide	details

Enzyme Details

9. Nicotinamide mononucleotide adenylyltransferase 3

General function:: Involved in nucleotidyltransferase activity
Specific function:: Catalyzes the formation of NAD(+) from nicotinamide mononucleotide (NMN) and ATP. Can also use the deamidated form; nicotinic acid mononucleotide (NaMN) as substrate with the same efficiency. Can use triazofurin monophosphate (TrMP) as substrate. Can also use GTP and ITP as nucleotide donors. Also catalyzes the reverse reaction, i.e. the pyrophosphorolytic cleavage of NAD(+). For the pyrophosphorolytic activity, can use NAD (+), NADH, NAAD, nicotinic acid adenine dinucleotide phosphate (NHD), nicotinamide guanine dinucleotide (NGD) as substrates. Fails to cleave phosphorylated dinucleotides NADP(+), NADPH and NAADP(+). Protects against axonal degeneration following injury.
Gene Name:: NMNAT3
Uniprot ID:: Q96T66
Molecular weight:: 18255.08

Reactions

Adenosine triphosphate + Nicotinic acid mononucleotide → Pyrophosphate + Nicotinic acid adenine dinucleotide	details

Enzyme Details

10. Nicotinate-nucleotide pyrophosphorylase [carboxylating]

General function:: Involved in catalytic activity
Specific function:: Involved in the catabolism of quinolinic acid (QA).
Gene Name:: QPRT
Uniprot ID:: Q15274
Molecular weight:: 30815.28

Reactions

Nicotinic acid mononucleotide + Pyrophosphate + CO(2) → Quinolinic acid + Phosphoribosyl pyrophosphate	details
Nicotinic acid mononucleotide + Pyrophosphate + Carbon dioxide → Quinolinic acid + Phosphoribosyl pyrophosphate	details

Only showing the first 10 proteins. There are 17 proteins in total.

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Showing metabocard for Nicotinic acid mononucleotide (HMDB0001132)

MOL for HMDB0001132 (Nicotinic acid mononucleotide)

3D MOL for HMDB0001132 (Nicotinic acid mononucleotide)

3D SDF for HMDB0001132 (Nicotinic acid mononucleotide)

3D-SDF for HMDB0001132 (Nicotinic acid mononucleotide)

PDB for HMDB0001132 (Nicotinic acid mononucleotide)

3D PDB for HMDB0001132 (Nicotinic acid mononucleotide)

SMILES for HMDB0001132 (Nicotinic acid mononucleotide)

INCHI for HMDB0001132 (Nicotinic acid mononucleotide)

Structure for HMDB0001132 (Nicotinic acid mononucleotide)

3D Structure for HMDB0001132 (Nicotinic acid mononucleotide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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