MiMeDB: Showing metabocard for Thymidine (MMDBc0000090)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:30:00 UTC

Update Date

2024-04-30 19:31:02 UTC

Metabolite ID

MMDBc0000090

Metabolite Identification

Common Name

Thymidine

Description

Thymidine, also known as deoxythymidine or DTHD, belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. Pyrimidine 2'-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. Thymidine is an extremely weak basic (essentially neutral) compound (based on its pKa). Thymidine exists in all living species, ranging from bacteria to humans. In cell biology, it is used to synchronize the cells in S phase. Within humans, thymidine participates in a number of enzymatic reactions. In particular, thymidine can be biosynthesized from 5-thymidylic acid through its interaction with the enzyme cytosolic purine 5'-nucleotidase. In addition, thymidine can be converted into 5-thymidylic acid; which is catalyzed by the enzyme thymidine kinase. In humans, thymidine is involved in the metabolic disorder called UMP synthase deficiency (orotic aciduria). Outside of the human body, thymidine has been detected, but not quantified in, several different foods, such as horned melons, Asian pears, brassicas, Japanese chestnuts, and apricots. This could make thymidine a potential biomarker for the consumption of these foods. Thymidine is non-toxic and is a naturally occurring compound that exists in all living organisms and DNA viruses. 25% of DNA is composed of thymidine. RNA does not have thymidine and has uridine instead. Thymidine is the DNA nucleoside T, which pairs with adenosine (A) in double-stranded DNA.

Structure

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

HMDB0000273
     RDKit          3D
Thymidine
 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6806    1.9797   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    0.7606   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129    0.5586   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9906   -0.5538    0.0757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -0.7248   -0.1805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1793   -1.3651    0.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615   -0.7455    0.7178 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5426   -1.7177    0.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736    0.0406   -0.5536 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3648    1.1842   -0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472    2.0891   -1.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    0.5006   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -1.4626    0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -2.4981    1.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -1.2941    0.9761 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980   -0.1935    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.0382    0.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    1.7266   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    2.4361    0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9922    2.7001   -1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1014    1.3464   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -1.3163   -1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826   -2.4368    0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571   -1.0882    1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288   -0.0541    1.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -2.5290    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484   -0.5784   -1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3722    0.7204   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3442    1.6315    0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    2.9425   -1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -2.0207    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
  4 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16  2  1  0
 12  5  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  3 21  1  0
  5 22  1  6
  6 23  1  0
  6 24  1  0
  7 25  1  1
  8 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 11 30  1  0
 15 31  1  0
M  END


  Mrv1652309032023592D          

 17 18  0  0  1  0            999 V2000
   -1.0357   -0.7785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0357    0.0465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7032   -1.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212    0.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502    0.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -2.0480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6232   -2.0480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3212    1.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932    0.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383   -2.7155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357    1.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    1.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357    2.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -2.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7617   -3.5224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 16  1  1  0  0  0
  8 12  1  6  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000090

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

> <INCHI_KEY>
IQFYYKKMVGJFEH-XLPZGREQSA-N

> <FORMULA>
C10H14N2O5

> <MOLECULAR_WEIGHT>
242.2286

> <EXACT_MASS>
242.090271568

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
23.060984366910677

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

> <ALOGPS_LOGP>
-1.32

> <JCHEM_LOGP>
-1.1190535893333329

> <ALOGPS_LOGS>
-0.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.907922676786033

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.960276156373078

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9780835894464888

> <JCHEM_POLAR_SURFACE_AREA>
99.1

> <JCHEM_REFRACTIVITY>
55.412000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thymidine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000273
     RDKit          3D
Thymidine
 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6806    1.9797   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    0.7606   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129    0.5586   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9906   -0.5538    0.0757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -0.7248   -0.1805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1793   -1.3651    0.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615   -0.7455    0.7178 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5426   -1.7177    0.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736    0.0406   -0.5536 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3648    1.1842   -0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472    2.0891   -1.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    0.5006   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -1.4626    0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -2.4981    1.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -1.2941    0.9761 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980   -0.1935    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.0382    0.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    1.7266   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    2.4361    0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9922    2.7001   -1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1014    1.3464   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -1.3163   -1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826   -2.4368    0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571   -1.0882    1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288   -0.0541    1.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -2.5290    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484   -0.5784   -1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3722    0.7204   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3442    1.6315    0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    2.9425   -1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -2.0207    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
  4 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16  2  1  0
 12  5  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  3 21  1  0
  5 22  1  6
  6 23  1  0
  6 24  1  0
  7 25  1  1
  8 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 11 30  1  0
 15 31  1  0
M  END

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  C   UNK     0      -1.933  -1.453   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -1.933   0.087   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0      -3.179  -2.359   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.687  -2.359   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.600   0.857   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.267   0.857   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.703  -3.823   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.163  -3.823   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -0.600   2.397   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       0.734   0.087   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.267   2.397   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.258  -5.069   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.933   3.167   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.601   3.167   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.933   4.707   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.609  -5.069   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -3.289  -6.575   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8                                                       
CONECT    5    2    9   10                                                  
CONECT    6    2   11                                                       
CONECT    7    3   16    8                                                  
CONECT    8    4   12    7                                                  
CONECT    9    5   13                                                       
CONECT   10    5                                                            
CONECT   11    6   14   13                                                  
CONECT   12    8                                                            
CONECT   13    9   15   11                                                  
CONECT   14   11                                                            
CONECT   15   13                                                            
CONECT   16    7   17                                                       
CONECT   17   16                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

COMPND    HMDB0000273
HETATM    1  C1  UNL     1       3.681   1.980  -0.581  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.970   0.761  -0.119  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.613   0.559  -0.353  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.991  -0.554   0.076  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.392  -0.725  -0.180  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.179  -1.365   0.910  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.561  -0.746   0.718  1.00  0.00           C  
HETATM    8  O1  UNL     1      -3.543  -1.718   0.591  1.00  0.00           O  
HETATM    9  C7  UNL     1      -2.374   0.041  -0.554  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.365   1.184  -0.541  1.00  0.00           C  
HETATM   11  O2  UNL     1      -3.147   2.089  -1.559  1.00  0.00           O  
HETATM   12  O3  UNL     1      -1.061   0.501  -0.410  1.00  0.00           O  
HETATM   13  C9  UNL     1       1.706  -1.463   0.732  1.00  0.00           C  
HETATM   14  O4  UNL     1       1.162  -2.498   1.139  1.00  0.00           O  
HETATM   15  N2  UNL     1       3.037  -1.294   0.976  1.00  0.00           N  
HETATM   16  C10 UNL     1       3.698  -0.194   0.564  1.00  0.00           C  
HETATM   17  O5  UNL     1       4.925  -0.038   0.789  1.00  0.00           O  
HETATM   18  H1  UNL     1       4.492   1.727  -1.307  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.147   2.436   0.304  1.00  0.00           H  
HETATM   20  H3  UNL     1       2.992   2.700  -1.052  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.101   1.346  -0.894  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.536  -1.316  -1.122  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.283  -2.437   0.739  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.857  -1.088   1.928  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.829  -0.054   1.517  1.00  0.00           H  
HETATM   26  H9  UNL     1      -3.222  -2.529   0.126  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.448  -0.578  -1.468  1.00  0.00           H  
HETATM   28  H11 UNL     1      -4.372   0.720  -0.684  1.00  0.00           H  
HETATM   29  H12 UNL     1      -3.344   1.632   0.471  1.00  0.00           H  
HETATM   30  H13 UNL     1      -3.590   2.943  -1.298  1.00  0.00           H  
HETATM   31  H14 UNL     1       3.589  -2.021   1.496  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3   16
CONECT    3    4   21
CONECT    4    5   13
CONECT    5    6   12   22
CONECT    6    7   23   24
CONECT    7    8    9   25
CONECT    8   26
CONECT    9   10   12   27
CONECT   10   11   28   29
CONECT   11   30
CONECT   13   14   14   15
CONECT   15   16   31
CONECT   16   17   17
END

HMDB0000273
     RDKit          3D
Thymidine
 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6806    1.9797   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    0.7606   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129    0.5586   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9906   -0.5538    0.0757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -0.7248   -0.1805 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1793   -1.3651    0.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615   -0.7455    0.7178 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5426   -1.7177    0.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736    0.0406   -0.5536 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3648    1.1842   -0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472    2.0891   -1.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    0.5006   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -1.4626    0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -2.4981    1.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -1.2941    0.9761 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980   -0.1935    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.0382    0.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    1.7266   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    2.4361    0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9922    2.7001   -1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1014    1.3464   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -1.3163   -1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826   -2.4368    0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571   -1.0882    1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288   -0.0541    1.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -2.5290    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484   -0.5784   -1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3722    0.7204   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3442    1.6315    0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    2.9425   -1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -2.0207    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
  4 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16  2  1  0
 12  5  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  3 21  1  0
  5 22  1  6
  6 23  1  0
  6 24  1  0
  7 25  1  1
  8 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 11 30  1  0
 15 31  1  0
M  END

Synonyms

Value	Source
1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione	ChEBI
2'-Deoxy-5-methyluridine	ChEBI
2'-Deoxythymidine	ChEBI
2'-Thymidine	ChEBI
5-Methyl-2'-deoxyuridine	ChEBI
Deoxythymidine	ChEBI
DTHD	ChEBI
T	ChEBI
Thymine 2'-deoxyriboside	ChEBI
1-(2-Deoxy-b-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione	Generator
1-(2-Deoxy-β-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione	Generator
1-(2-Deoxy-b-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione	HMDB
1-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione	HMDB
1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione	HMDB
2'-Deoxy-5-methyl-uridine	HMDB
5-Methyldeoxyuridine	HMDB
Deoxyribothymidine	HMDB
DT	HMDB
DThyd	HMDB
Thymidin	HMDB
Thymine 2-desoxyriboside	HMDB
Thymine deoxyriboside	HMDB
Thymine-1 2-deoxy-b-D-ribofuranoside	HMDB
Thymine-1 2-deoxy-beta-delta-ribofuranoside	HMDB
2' Deoxythymidine	HMDB

Molecular Formula

C₁₀H₁₄N₂O₅

Average Mass

242.2286

Monoisotopic Mass

242.090271568

IUPAC Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Traditional Name

thymidine

CAS Registry Number

50-89-5

SMILES

CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O

InChI Identifier

InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

InChI Key

IQFYYKKMVGJFEH-XLPZGREQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. Pyrimidine 2'-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleosides

Sub Class

Pyrimidine 2'-deoxyribonucleosides

Direct Parent

Pyrimidine 2'-deoxyribonucleosides

Alternative Parents

Substituents

Pyrimidine 2'-deoxyribonucleoside
Pyrimidone
Hydroxypyrimidine
Hydropyrimidine
Pyrimidine
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

pyrimidine 2'-deoxyribonucleoside (CHEBI:17748 )
Deoxyribonucleosides (C00214 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	66.8 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-1.1	ChemAxon
logS	-0.56	ALOGPS
pKa (Strongest Acidic)	9.96	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	99.1 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	55.41 m³·mol⁻¹	ChemAxon
Polarizability	23.06 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-0udi-1900000000-8e769118bc877facb05f	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-0ue9-2910000000-823bcee487948a9c786f	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0udi-1900000000-8e769118bc877facb05f	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ue9-2910000000-823bcee487948a9c786f	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0udi-0900000000-996530d1ea081ac2a7c7	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0l6r-0900000000-4645a52830204c8ef5d0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0zfr-0900000000-76b8a050c10b514ed50b	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-9530000000-627a60bbe3e0b90f58cb	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0g4i-7905000000-7b0c67709e3a5f91841a	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-004i-0900000000-1c2ba2f2aace4a76cdea	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-004i-3900000000-d177672ef3f383adbb5d	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-01p9-9000000000-4483af567feecb34a651	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0006-0090000000-435be9f03e969dbabb79	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-0006-5690000000-79b230d52929aa67bbf2	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-0006-9100000000-28a604508965067c85c5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-0006-9000000000-360e0667ff3d7d77e706	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0006-9000000000-b1fecd2d1fa166e22d5f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-004i-1920000000-1a2e609b8a19ef491964	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive	splash10-004i-1900000000-5e4a733641fa285e7f74	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive	splash10-004i-3900000000-f734d5813fecb7a31814	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive	splash10-01t9-5900000000-53b0016c66aa014c2abc	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive	splash10-03e9-9600000000-48f1a0d5512651a93e14	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-004i-1910000000-f02c2133ea475f4f838c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-08i0-2900000000-ec21970768da0fbf8ce5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-0002-9000000000-17c234cb0e8de5ae82f4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-014i-9000000000-d7e5ed251a93758682ec	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0006-0090000000-435be9f03e969dbabb79	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0006-5690000000-79b230d52929aa67bbf2	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0900000000-9ad72ff6cb2e2dfab911	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-4900000000-3b1e6c50c2450e123648	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-6900000000-d30b05dfe1b6d25ebd2b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-052g-1940000000-ce16baa1ceb8a83565c2	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0ufr-3920000000-c6ff3f238b6fed007635	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9200000000-104a4f5a4fe8a0ed5ca3	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-01dj-9300000000-6e24b5b6d36e07dd73d0	2018-05-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Lysosome
Mitochondria

Biospecimen Locations

Adipose Tissue
Adrenal Gland
Amniotic Fluid
Bladder
Blood
Cerebrospinal Fluid (CSF)
Epidermis
Feces
Fibroblasts
Intestine
Kidney
Neuron
Pancreas
Placenta
Platelet
Prostate
Saliva
Skeletal Muscle
Spleen
Testis
Thyroid Gland
Urine

Tissue Locations

Adipose Tissue
Adrenal Gland
Bladder
Epidermis
Fibroblasts
Intestine
Kidney
Neuron
Pancreas
Placenta
Platelet
Prostate
Skeletal Muscle
Spleen
Testis
Thyroid Gland

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191677	5'-nucleotidase	Unknown	P21589	Homo sapiens
MMDBp0191680	Cytosolic 5'-nucleotidase 1B	Unknown	Q96P26	Homo sapiens
MMDBp0191681	Cytosolic 5'-nucleotidase 1A	Unknown	Q9BXI3	Homo sapiens
MMDBp0191682	5'(3')-deoxyribonucleotidase, cytosolic type	Unknown	Q8TCD5	Homo sapiens
MMDBp0191684	5'(3')-deoxyribonucleotidase, mitochondrial	Unknown	Q9NPB1	Homo sapiens
MMDBp0193588	Solute carrier family 22 member 1	Transporter	O15245	Homo sapiens
MMDBp0193860	Cytosolic 5'-nucleotidase 3	Enzyme	Q9H0P0	Homo sapiens
MMDBp0193932	Cytosolic purine 5'-nucleotidase	Unknown	P49902	Homo sapiens
MMDBp0193935	Solute carrier family 28 member 3	Transporter	Q9HAS3	Homo sapiens
MMDBp0193936	Thymidine kinase, cytosolic	Enzyme	P04183	Homo sapiens
MMDBp0193937	Thymidine kinase 2, mitochondrial	Enzyme	O00142	Homo sapiens
MMDBp0193938	Thymidine phosphorylase	Enzyme	P19971	Homo sapiens
MMDBp0195935	Thymidine kinase	Enzyme	Q8IZR3	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0001792	5-Thymidylic acid	Phosphate	Acid phosphatase 2, lysosomal	5'-Nucleotidase (dTMP), Lysosomal	VMH	30371894
MMDBr0001793	5-Thymidylic acid	Phosphate	5',3'-nucleotidase, mitochondrial	5'-Nucleotidase (dTMP), Mitochondrial	VMH	30371894
MMDBr0002231	Sodium	Sodium	Not Available	Thymidine Transport in via Sodium Symport	VMH	12856181
MMDBr0002248	Thymidine	Thymidine	Solute carrier family 29 (equilibrative nucleoside transporter), member 1	Thymd Transport	VMH	10722669 12838422 9693094
MMDBr0002249	Thymidine	Thymidine	Solute carrier family 29 (equilibrative nucleoside transporter), member 3	Thymidine Faciliated Transport from Lysosome	VMH	12838422 15701636 2925670
MMDBr0002250	Thymidine	Thymidine	Solute carrier family 29 (equilibrative nucleoside transporter), member 1	Thymd Transport	VMH	10722669 12838422 14607828
MMDBr0002256	Adenosine triphosphate	ADP	Thymidine kinase 2, mitochondrial	Thymidine Kinase (ATP:Thymidine)	VMH	30371894
MMDBr0002257	Phosphate	Deoxyribose 1-phosphate	Not Available	Thymidine Phosphorylase	VMH	30371894
MMDBr0005525	Sodium	Sodium	Solute carrier family 28 (concentrative nucleoside transporter), member 3	Thymidine Transport (1:2 Na/Thymd Symport)	VMH	30371894
MMDBr0005578	Thymidine	Thymidine	Not Available	Transport of Thymidine	VMH	30371894
MMDBr0007576	Hydrogen Ion	Hydrogen Ion	Not Available	Thymidine Transport in via Proton Symport Reversible	VMH	30371894
MMDBr0007580	Adenosine triphosphate	ADP	Not Available	Thymidine Kinase (ATP:Thymidine)	VMH	30371894
MMDBr0007639	5-Thymidylic acid	Phosphate	Not Available	5'-Nucleotidase (dTMP)	VMH	30371894
MMDBr0008412	Guanosine triphosphate	5-Thymidylic acid	Not Available	Thymidine kinase GTPThymidine	VMH	30371894
MMDBr0010986	Thymidine	Thymidine	Not Available	Thymidine transport reversible	VMH	30371894
MMDBr0012974	5-Thymidylic acid	Phosphate	5'-deoxynucleotidase YfbR	Hydrolysis of nucleotide	RHEA	34755880
MMDBr0013488	Phosphate	2-deoxy-alpha-D-ribose 1-phosphate	Pyrimidine-nucleoside phosphorylase	Phosphorylation	RHEA	34755880
MMDBr0013843	Adenosine triphosphate	ADP	Thymidine kinase	Phosphorylation	RHEA	34755880
MMDBr0019274	Thymine	Thymidine	Thymidine phosphorylase	Phosphorylation	PathBank	31602464
MMDBr0019275	Thymidine	Hydrogen Ion	Thymidine kinase	Phosphorylation	PathBank	31602464
MMDBr0019286	Thymidine	Thymine	Thymidine phosphorylase	Phosphorylation	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Canavan disease	Increased	Association	Human Blood	HMDB	16139832
Canavan disease	Slight Decrease	Association	Human Urine	HMDB	16139832
Degenerative disc disease		Association	Human Cerebrospinal Fluid (CSF)	HMDB	6656991
Eosinophilic esophagitis	Slight Increase	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota	Parabasalia	1		Microbial culture
Bacteria	Firmicutes	639	Human feces; Human ; Human stool; Human urine; Human sputum; Human pleural fluid plaque; Pig ; Human subgingival plaque; Human saliva; Human mucosa; Human supragingival plaque; Cattle	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Eukaryota	Apicomplexa	1		Microbial culture
Bacteria	Bacteroidetes	245	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Microbial culture; Metabolic reconstruction
Bacteria	Verrucomicrobia	3	Human feces; Human stool; Human ; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	516	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; River trout ; Cattle ; Chicken	Metabolic reconstruction
Bacteria	Actinobacteria	169	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human nasopharyngeal swab; Human mucosa; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	6	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	5	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria	Fusobacteria	21	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	9		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	26	Human feces; Human ; Goat ; Pig	Metabolic reconstruction
Bacteria	Planctomycetes	3	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	2		Metabolic reconstruction
Bacteria	Chlorobi	1
Bacteria/NULL	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; River trout ; Cattle ; Chicken	Metabolic reconstruction
Viruses	Peploviricota	20	Human saliva
Viruses/Heunggongvirae	Peploviricota	16	Human saliva
Viruses/Bamfordvirae	Nucleocytoviricota	24
Viruses/Heunggongvirae	Uroviricota	1
Bacteria	Chloroflexi	5
Bacteria	Deinococcus-thermus	2
Bacteria	Dictyoglomi	2
Eukaryota/Fungi	Microsporidia	1
Archaea/Archaea	Euryarchaeota	4		Metabolic reconstruction
Bacteria	Thermotogae	4
Archaea/Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Saccharina japonica	FooDB	31437929
Animal		Spirulina	FooDB	31437929
Animal		Lota lota	FooDB	31437929
Animal		Porphyra umbilicalis	FooDB	31437929
Animal		Chondrus crispus	FooDB	31437929
Animal		Laminaria	FooDB	31437929
Animal	Milk	Bos taurus	FooDB	31437929
Animal		Strombidae	FooDB	31437929
Animal		Haliotis	FooDB	31437929
Animal		Clupea harengus harengus	FooDB	31437929
Animal		Undaria pinnatifida	FooDB	31437929
Animal		Peprilus triacanthus	FooDB	31437929
Animal		Rhodophyta	FooDB	31437929
Animal		Myoxocephalus	FooDB	31437929
Animal		Eucheuma	FooDB	31437929
Food			FooDB	31437929
Plant		Cicer arietinum	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant		Oenothera biennis	FooDB	31437929
Plant		Brassica napus var. pabularia	FooDB	31437929
Plant		Eriobotrya japonica	FooDB	31437929
Plant		Vaccinium reticulatum	FooDB	31437929
Plant		Diospyros kaki	FooDB	31437929
Plant		Satureja montana	FooDB	31437929
Plant		Solanum quitoense	FooDB	31437929
Plant		Virola surinamensis	FooDB	31437929
Plant		Vaccinium arboreum	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant		Rumex acetosa	FooDB	31437929
Plant		Origanum onites	FooDB	31437929
Plant		Perideridia oregana	FooDB	31437929
Plant		Pyrus pyrifolia	FooDB	31437929
Plant		Wasabia japonica	FooDB	31437929
Plant		Brassica oleracea var. capitata	FooDB	31437929
Plant		Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant		Theobroma grandiflorum	FooDB	31437929
Plant			FooDB	31437929
Plant		Viburnum edule	FooDB	31437929
Plant		Citrus japonica	FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Vaccinium uliginosum	FooDB	31437929
Plant		Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant		Ginkgo biloba	FooDB	31437929
Plant		Flammulina velutipes	FooDB	31437929
Plant		Syzygium aromaticum	FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Camellia sinensis	FooDB	31437929
Plant		Pouteria sapota	FooDB	31437929
Plant		Raphanus sativus var. sativus	FooDB	31437929
Plant		Vicia faba	FooDB	31437929
Plant		Prunus avium	FooDB	31437929
Plant		Prunus persica var. persica	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant		Piper nigrum	FooDB	31437929
Plant		Rubus ursinus x idaeus	FooDB	31437929
Plant		Raphanus sativus var. niger	FooDB	31437929
Plant		Dioscorea	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant		Momordica charantia	FooDB	31437929
Plant		Origanum vulgare	FooDB	31437929
Plant		Cirsium	FooDB	31437929
Plant		Opuntia	FooDB	31437929
Plant		Vitis vinifera	FooDB	31437929
Plant		Dysphania ambrosioides	FooDB	31437929
Plant		Castanea	FooDB	31437929
Plant		Capsicum annuum	FooDB	31437929
Plant		Pleurotus ostreatus	FooDB	31437929
Plant		Nuphar lutea	FooDB	31437929
Plant		Colocasia esculenta	FooDB	31437929
Plant		Salix pulchra	FooDB	31437929
Plant		Anthriscus cerefolium	FooDB	31437929
Plant		Pachyrhizus erosus	FooDB	31437929
Plant		Lupinus albus	FooDB	31437929
Plant		Syzygium jambos	FooDB	31437929
Plant		Vaccinium ovatum	FooDB	31437929
Plant		Thymus pulegioides	FooDB	31437929
Plant		Citrus maxima	FooDB	31437929
Plant		Cichorium endivia	FooDB	31437929
Plant		Mespilus germanica	FooDB	31437929
Plant		Myristica fragrans	FooDB	31437929
Plant		Elaeis	FooDB	31437929
Plant		Cinnamomum	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Feijoa sellowiana	FooDB	31437929
Plant		Brassica rapa var. perviridis	FooDB	31437929
Plant		Ribes uva-crispa	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant		Fagus	FooDB	31437929
Plant		Crocus sativus	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant		Salvia elegans	FooDB	31437929
Plant		Mentha	FooDB	31437929
Plant		Cydonia oblonga	FooDB	31437929
Plant		Mentha aquatica	FooDB	31437929
Plant		Lablab purpureus	FooDB	31437929
Plant		Phaseolus coccineus	FooDB	31437929
Plant		Rheum rhabarbarum	FooDB	31437929
Plant		Salvia officinalis	FooDB	31437929
Plant		Castanea sativa	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant		Opuntia cochenillifera	FooDB	31437929
Plant		Annona muricata	FooDB	31437929
Plant		Sagittaria latifolia	FooDB	31437929
Plant		Cucurbita	FooDB	31437929
Plant		Empetrum nigrum	FooDB	31437929
Plant		Myrica rubra	FooDB	31437929
Plant		Tilia tomentosa	FooDB	31437929
Plant		Tamarindus indica	FooDB	31437929
Plant		Cocos nucifera	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant		Typha angustifolia	FooDB	31437929
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Valerianella locusta	FooDB	31437929
Plant		Sambucus	FooDB	31437929
Plant		Angelica keiskei	FooDB	31437929
Plant		Sisymbrium	FooDB	31437929
Plant		Pinus	FooDB	31437929
Plant		Hyssopus officinalis	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Vanilla	FooDB	31437929
Plant		Borago officinalis	FooDB	31437929
Plant		Psidium guajava	FooDB	31437929
Plant		Vaccinium vitis-idaea	FooDB	31437929
Plant		Carya	FooDB	31437929
Plant		Physalis philadelphica var. immaculata	FooDB	31437929
Plant		Scorzonera hispanica	FooDB	31437929
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant		Rubus spectabilis	FooDB	31437929
Plant		Ipomoea aquatica	FooDB	31437929
Plant		Manihot esculenta	FooDB	31437929
Plant		Daucus carota	FooDB	31437929
Plant		Raphanus sativus	FooDB	31437929
Plant		Solanum tuberosum	FooDB	31437929
Plant		Cuminum cyminum	FooDB	31437929
Plant		Beta vulgaris ssp. cicla	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Cantharellus cibarius	FooDB	31437929
Plant		Vigna radiata	FooDB	31437929
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant		Allium sativum	FooDB	31437929
Plant		Musa x paradisiaca	FooDB	31437929
Plant		Opuntia macrorhiza	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Sinapis alba	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Allium cepa	FooDB	31437929
Plant		Apium graveolens var. secalinum	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Arachis hypogaea	FooDB	31437929
Plant		Passiflora edulis	FooDB	31437929
Plant		Illicium verum	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant			FooDB	31437929
Plant		Manilkara zapota	FooDB	31437929
Plant		Abelmoschus esculentus	FooDB	31437929
Plant		Moringa oleifera	FooDB	31437929
Plant		Juglans ailanthifolia	FooDB	31437929
Plant		Auricularia auricula-judae	FooDB	31437929
Plant		Vigna angularis	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Chamaemelum nobile	FooDB	31437929
Plant		Malus	FooDB	31437929
Plant		Polygonum alpinum	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Melissa officinalis	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant		Juglans	FooDB	31437929
Plant		Cucurbita pepo var. clypeata	FooDB	31437929
Plant		Sambucus nigra	FooDB	31437929
Plant		Mangifera indica	FooDB	31437929
Plant		Mentha spicata	FooDB	31437929
Plant		Auricularia polytricha	FooDB	31437929
Plant		Laurus nobilis	FooDB	31437929
Plant		Pediomelum esculentum	FooDB	31437929
Plant		Attalea speciosa	FooDB	31437929
Plant		Helianthus annuus	FooDB	31437929
Plant		Rubus arcticus	FooDB	31437929
Plant		Petroselinum crispum	FooDB	31437929
Plant		Ribes nigrum	FooDB	31437929
Plant		Rumex articus	FooDB	31437929
Plant		Chrysanthemum coronarium	FooDB	31437929
Plant		Eleocharis dulcis	FooDB	31437929
Plant		Zingiber officinale	FooDB	31437929
Plant		Brassica juncea	FooDB	31437929
Plant		Ribes aureum var. villosum	FooDB	31437929
Plant		Vaccinium corymbosum	FooDB	31437929
Plant		Camellia oleifera	FooDB	31437929
Plant		Pisum sativum	FooDB	31437929
Plant		Pimenta dioica	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant		Thymus vulgaris	FooDB	31437929
Plant		Eruca vesicaria ssp. sativa	FooDB	31437929
Plant		Canarium ovatum	FooDB	31437929
Plant		Medicago sativa	FooDB	31437929
Plant		Metroxylon sagu	FooDB	31437929
Plant		Hibiscus sabdariffa	FooDB	31437929
Plant		Spinacia oleracea	FooDB	31437929
Plant		Agaricus bisporus	FooDB	31437929
Plant		Origanum majorana	FooDB	31437929
Plant		Carica papaya	FooDB	31437929
Plant		Benincasa hispida	FooDB	31437929
Plant		Cajanus cajan	FooDB	31437929
Plant		Vitis rotundifolia	FooDB	31437929
Plant		Vigna mungo	FooDB	31437929
Plant		Morus	FooDB	31437929
Plant		Armoracia rusticana	FooDB	31437929
Plant		Vitis labrusca	FooDB	31437929
Plant		Juglans cinerea	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Cyathea	FooDB	31437929
Plant		Arctium lappa	FooDB	31437929
Plant		Myrica	FooDB	31437929
Plant		Psidium cattleianum	FooDB	31437929
Plant		Brassica oleracea var. gongylodes	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant		Brassica oleracea var. gemmifera	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Artocarpus altilis	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Castanea mollissima	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant		Brosimum alicastrum	FooDB	31437929
Plant		Cucumis metuliferus	FooDB	31437929
Plant		Nephelium lappaceum	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Artemisia vulgaris	FooDB	31437929
Plant		Vaccinium angustifolium	FooDB	31437929
Plant		Lentinus edodes	FooDB	31437929
Plant		Prunus cerasus	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Phytolacca americana	FooDB	31437929
Plant		Tetragonia tetragonioides	FooDB	31437929
Plant		Lepidium sativum	FooDB	31437929
Plant		Castanea crenata	FooDB	31437929
Plant		Thelesperma	FooDB	31437929
Plant		Helianthus tuberosus	FooDB	31437929
Plant		Vaccinium elliottii	FooDB	31437929
Plant		Grifola frondosa	FooDB	31437929
Plant		Corylus avellana	FooDB	31437929
Plant		Quercus	FooDB	31437929
Plant		Ficus carica	FooDB	31437929
Plant		Levisticum officinale	FooDB	31437929
Plant		Chamerion angustifolium	FooDB	31437929
Plant		Beta vulgaris var. rubra	FooDB	31437929
Plant			FooDB	31437929
Plant		Litchi chinensis	FooDB	31437929
Plant		Malpighia emarginata	FooDB	31437929
Plant		Physalis	FooDB	31437929
Plant		Ziziphus zizyphus	FooDB	31437929
Plant		Matricaria recutita	FooDB	31437929
Plant		Trigonella foenum-graecum	FooDB	31437929
Plant		Pangium edule	FooDB	31437929
Plant		Dimocarpus longan	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Hedysarum alpinum	FooDB	31437929
Plant		Cynara cardunculus	FooDB	31437929
Plant		Brassica oleracea var. sabauda	FooDB	31437929
Plant		Asparagus officinalis	FooDB	31437929
Plant		Brassica napus	FooDB	31437929
Plant		Apium graveolens var. dulce	FooDB	31437929
Plant		Salvia hispanica	FooDB	31437929
Plant		Capsicum baccatum var. baccatum	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Agave	FooDB	31437929
Plant		Vigna aconitifolia	FooDB	31437929
Plant		Pimpinella anisum	FooDB	31437929
Plant		Citrus aurantiifolia	FooDB	31437929
Plant		Brassica oleracea var. viridis	FooDB	31437929
Plant		Xanthosoma sagittifolium	FooDB	31437929
Plant		Capsicum pubescens	FooDB	31437929
Plant		Vitellaria paradoxa	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Vitis aestivalis	FooDB	31437929
Plant		Brassica alboglabra	FooDB	31437929
Plant		Eragrostis tef	FooDB	31437929
Plant		Eugenia javanica	FooDB	31437929
Plant		Mammea americana	FooDB	31437929
Plant		Basella alba	FooDB	31437929
Plant		Diospyros	FooDB	31437929
Plant			FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Amaranthus	FooDB	31437929
Plant		Vaccinium stamineum	FooDB	31437929
Plant		Crateva religiosa	FooDB	31437929
Plant		Byrsonima crassifolia	FooDB	31437929
Plant		Annona squamosa	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant		Beta vulgaris	FooDB	31437929
Plant		Mentha arvensis	FooDB	31437929
Plant		Gossypium	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Grataegosorbus mitschurinii	FooDB	31437929
Plant		Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant		Citrus latifolia	FooDB	31437929
Plant		Origanum x majoricum	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant			FooDB	31437929
Plant		Malus pumila	FooDB	31437929
Plant		Psophocarpus tetragonolobus	FooDB	31437929
Plant		Brassica rapa var. chinensis	FooDB	31437929
Plant		Portulaca oleracea	FooDB	31437929
Plant		Diospyros virginiana	FooDB	31437929
Plant		Ribes rubrum	FooDB	31437929
Plant		Cucumis sativus	FooDB	31437929
Plant		Cinnamomum aromaticum	FooDB	31437929
Plant		Ipomoea batatas	FooDB	31437929
Plant		Allium ampeloprasum	FooDB	31437929
Plant		Chenopodium album	FooDB	31437929
Plant		Rumex	FooDB	31437929
Plant		Rubus chamaemorus	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Eugenia uniflora	FooDB	31437929
Plant		Citrullus lanatus var. fistulosus	FooDB	31437929
Plant		Cucurbita maxima	FooDB	31437929
Plant			FooDB	31437929
Plant		Sechium edule	FooDB	31437929
Plant		Tragopogon porrifolius	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant		Pastinaca sativa	FooDB	31437929
Plant		Allium tuberosum	FooDB	31437929
Plant		Rubus x loganobaccus	FooDB	31437929
Plant		Lathyrus sativus	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Garcinia mangostana	FooDB	31437929
Plant		Annona reticulata	FooDB	31437929
Plant		Sesbania bispinosa	FooDB	31437929
Plant		Allium ascalonicum	FooDB	31437929
Plant		Lactuca sativa l. var. longifolia	FooDB	31437929
Plant		Curcuma longa	FooDB	31437929
Plant		Taraxacum officinale	FooDB	31437929
Plant		Gaylussacia baccata	FooDB	31437929
Plant		Elettaria cardamomum	FooDB	31437929
Plant		Dioscorea pentaphylla	FooDB	31437929
Plant		Petasites japonicus	FooDB	31437929
Plant		Persea americana	FooDB	31437929
Plant		Vaccinium myrtilloides	FooDB	31437929
Plant		Matteuccia struthiopteris	FooDB	31437929
Plant		Tilia	FooDB	31437929
Plant		Corchorus olitorius	FooDB	31437929
Plant		Brassica oleracea var. botrytis	FooDB	31437929
Plant		Cichorium intybus	FooDB	31437929
Plant		Prunus tomentosa	FooDB	31437929
Plant		Chenopodium quinoa	FooDB	31437929
Plant		Brassica oleracea var. conica	FooDB	31437929
Plant		Cinnamomum verum	FooDB	31437929
Plant		Maranta arundinacea	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Juglans nigra	FooDB	31437929
Plant		Lippia graveolens	FooDB	31437929
Plant		Mentha x piperita	FooDB	31437929
Plant		Nelumbo	FooDB	31437929
Plant		Cucurbita moschata	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant		Rosa	FooDB	31437929
Plant		Vaccinium deliciosum	FooDB	31437929
Plant		Apium graveolens var. rapaceum	FooDB	31437929
Plant		Papaver	FooDB	31437929
Plant		Ocimum basilicum	FooDB	31437929
Plant		Capsicum annuum var. annuum	FooDB	31437929
Plant		Brassica rapa var. pekinensis	FooDB	31437929
Plant		Citrus limon	FooDB	31437929
Plant		Annona cherimola	FooDB	31437929
Plant		Capparis spinosa	FooDB	31437929
Plant		Macadamia tetraphylla	FooDB	31437929
Plant		Brassica rapa	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Prunus virginiana	FooDB	31437929
Plant		Sesamum orientale	FooDB	31437929
Plant		Glycine max	FooDB	31437929
Plant		Sorbus aucuparia	FooDB	31437929
Plant		Carissa macrocarpa	FooDB	31437929
Plant		Artocarpus heterophyllus	FooDB	31437929
Plant		Brassica oleracea var. costata	FooDB	31437929
Plant		Panax	FooDB	31437929
Plant		Satureja hortensis	FooDB	31437929
Plant		Phaseolus lunatus	FooDB	31437929
Plant		Lagenaria siceraria	FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Vigna umbellata	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant		Allium fistulosum	FooDB	31437929
Plant		Capsicum	FooDB	31437929
Plant		Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant		Lupinus	FooDB	31437929
Plant		Phyllostachys edulis	FooDB	31437929
Plant		Tilia cordata	FooDB	31437929
Plant		Linum usitatissimum	FooDB	31437929
Plant		Averrhoa carambola	FooDB	31437929
Plant		Carum carvi	FooDB	31437929
Plant		Allium schoenoprasum	FooDB	31437929
Plant		Luffa aegyptiaca	FooDB	31437929
Plant		Prunus armeniaca	FooDB	31437929
Plant		Nelumbo nucifera	FooDB	31437929
Plant		Cymbopogon citratus	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Ribes glandulosum	FooDB	31437929
Plant		Vaccinium alaskaense	FooDB	31437929
Plant		Durio zibethinus	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Citrus reticulata	FooDB	31437929
Plant		Ceratonia siliqua	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Brassica rapa var. rapa	FooDB	31437929
Plant		Coriandrum sativum	FooDB	31437929
Plant		Anethum graveolens	FooDB	31437929
Plant		Aloysia triphylla	FooDB	31437929
Plant		Vaccinium parvifolium	FooDB	31437929
Plant		Capsicum chinense	FooDB	31437929
Plant		Carthamus tinctorius	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	0.31	0.09			uM	Adult (>18 years old)	Both	Canavan disease	HMDB	16139832
Human Urine	Detected and Quantified	4.58	4.58			umol/mmol creatinine	Adult (>18 years old)	Both	Canavan disease	HMDB	16139832
Human Cerebrospinal fluid (csf)	Detected and Quantified			0.06 (0.0	0.120	uM	Adult (>18 years old)	Both	Degenerative disc disease	HMDB	6656991
Human Urine	Detected and Quantified	29				umol/mmol creatinine	Adult (>18 years old)	Male	Thymidine phosphorylase deficiency	HMDB	20151198
Human Blood	Detected and Quantified	0.2				uM	Adult (>18 years old)	Both	Normal	HMDB	6656991
Human Blood	Detected and Quantified	<0.1				uM	Adult (>18 years old)	Not Specified	Normal	HMDB	20151198
Human Urine	Detected and Quantified	<0.1				umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	30817767
Human Urine	Detected and Quantified	<5				umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	20151198
Human Blood	Detected and Quantified	0.21	0.13			uM	Adult (>18 years old)	Both	Normal	HMDB	16139832
Human Urine	Detected and Quantified	1.38	1.02			umol/mmol creatinine	Adolescent (13-18 years old)	Both	Normal	HMDB	16139832
Human Amniotic fluid	Detected and Quantified	1.52	1.21			uM	Adult (>18 years old)	Female	Normal	HMDB	16139832
Human Urine	Detected and Quantified	2.2		0.7	3.9	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	2.46	2.03			umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	16139832
Human Urine	Detected and Quantified	6.87	4.86			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16139832
Human Urine	Detected and Quantified	3.431	0.539			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	2.113	0.875			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified			0	3	umol/mmol creatinine	Children (1 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Saliva	Detected and Quantified	0.221	0.800			uM	Adult (>18 years old)	Male	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	2.52	0.579			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Adipose tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Bladder	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Testis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Thyroid gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000273

DrugBank ID

DB04485

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

17748

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Zhao R, Zhang S, Hanscom M, Chattopadhyay S, Goldman ID: Loss of reduced folate carrier function and folate depletion result in enhanced pemetrexed inhibition of purine synthesis. Clin Cancer Res. 2005 Feb 1;11(3):1294-301. [PubMed:15709201 ]
Robins HI, Tutsch K, Katschinski DM, Jacobson E, Mehta M, Olsen M, Cohen JD, Tiggelaar CL, Arzoomanian RZ, Alberti D, Feierabend C, Wilding G: Phase I trial of intravenous thymidine and carboplatin in patients with advanced cancer. J Clin Oncol. 1999 Sep;17(9):2922-31. doi: 10.1200/JCO.1999.17.9.2922. [PubMed:10561372 ]
Vogel W, Schempp W, Sigwarth I: Comparison of thymidine, fluorodeoxyuridine, hydroxyurea, and methotrexate blocking at the G1/S phase transition of the cell cycle, studied by replication patterns. Hum Genet. 1978 Dec 18;45(2):193-8. doi: 10.1007/BF00286962. [PubMed:153886 ]
Schill WB, Miska W: Possible effects of the kallikrein-kinin system on male reproductive functions. Andrologia. 1992 Mar-Apr;24(2):69-75. doi: 10.1111/j.1439-0272.1992.tb02613.x. [PubMed:1318646 ]
Grinlinton FM, Skinner MA, Birchall NM, Tan PL: Gamma delta + T cells from patients with psoriatic and rheumatoid arthritis respond to streptococcal antigen. J Rheumatol. 1993 Jun;20(6):982-7. [PubMed:8350335 ]
Schulz CA, Mehta MP, Badie B, McGinn CJ, Robins HI, Hayes L, Chappell R, Volkman J, Binger K, Arzoomanian R, Simon K, Alberti D, Feierabend C, Tutsch KD, Kunugi KA, Wilding G, Kinsella TJ: Continuous 28-day iododeoxyuridine infusion and hyperfractionated accelerated radiotherapy for malignant glioma: a phase I clinical study. Int J Radiat Oncol Biol Phys. 2004 Jul 15;59(4):1107-15. doi: 10.1016/j.ijrobp.2003.12.007. [PubMed:15234045 ]
Isoda K, Kim H, Hamamoto Y: A study on the mesothelial cell kinetics in pleural effusions by DNA cytophotometry and autoradiography with tritiated thymidine. Acta Pathol Jpn. 1984 Jul;34(4):775-83. doi: 10.1111/j.1440-1827.1984.tb07606.x. [PubMed:6485796 ]
Ashkenazi S, Cleary KR, Pickering LK, Murray BE, Cleary TG: The association of Shiga toxin and other cytotoxins with the neurologic manifestations of shigellosis. J Infect Dis. 1990 May;161(5):961-5. doi: 10.1093/infdis/161.5.961. [PubMed:2324546 ]
Eells JT, Spector R: Purine and pyrimidine base and nucleoside concentrations in human cerebrospinal fluid and plasma. Neurochem Res. 1983 Nov;8(11):1451-7. doi: 10.1007/BF00965000. [PubMed:6656991 ]
Abelson HT, Fosburg MT, Beardsley GP, Goorin AM, Gorka C, Link M, Link D: Methotrexate-induced renal impairment: clinical studies and rescue from systemic toxicity with high-dose leucovorin and thymidine. J Clin Oncol. 1983 Mar;1(3):208-16. doi: 10.1200/JCO.1983.1.3.208. [PubMed:6607976 ]
Svendsen LB, Stener Jorgensen F, Hart Hansen O, Johansen A, Horn T, Larsen JK: Influence of the prostaglandin E1 analogue Rioprostil on the human gastric mucosa. Digestion. 1987;37(1):29-34. doi: 10.1159/000199484. [PubMed:3111919 ]

Showing metabocard for Thymidine (MMDBc0000090)

MOL for #<Metabolite:0x000055c79b98a770>

3D MOL for #<Metabolite:0x000055c79b98a770>

3D SDF for #<Metabolite:0x000055c79b98a770>

3D-SDF for #<Metabolite:0x000055c79b98a770>

PDB for #<Metabolite:0x000055c79b98a770>

3D PDB for #<Metabolite:0x000055c79b98a770>

SMILES for #<Metabolite:0x000055c79b98a770>

INCHI for #<Metabolite:0x000055c79b98a770>

Structure for #<Metabolite:0x000055c79b98a770>

3D Structure for #<Metabolite:0x000055c79b98a770>