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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 23:10:06 UTC

Update Date

2021-09-26 22:55:00 UTC

HMDB ID

HMDB0246131

Secondary Accession Numbers

None

Metabolite Identification

Common Name

1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Description

Uridine belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. In humans, uridine is involved in the metabolic disorder called the g(m2)-gangliosidosis: variant b, tay-sachs disease pathway. Uridine is found, on average, in the highest concentration within beer and milk (cow). Uridine has also been detected, but not quantified in, several different foods, such as parsnips (Pastinaca sativa), broccolis (Brassica oleracea var. italica), avocados (Persea americana), pepper (c. baccatum), and fennels (Foeniculum vulgare). This could make uridine a potential biomarker for the consumption of these foods. Uridine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Uridine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 1-[(2r,3s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0248555
     RDKit          3D
ARABINOFURANOSYLURACIL
 29 30  0  0  0  0  0  0  0  0999 V2000
    0.8121    1.3638    1.9418 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6699    0.8085    1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.5511    1.7233 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.0368    0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841   -0.3213    1.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269   -0.3690   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -0.0847   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    0.5024   -0.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503    0.7956   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716    1.3209    0.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7567    0.3920    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530    1.0173    1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837    0.0150    1.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.1555   -0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593    0.8367   -1.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411   -0.4351   -1.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224   -0.4865   -2.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319   -0.0066    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   -0.8451   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242   -0.3343   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038    1.5228   -1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074   -0.4177    1.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609    1.4912    2.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762    1.7780    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509   -0.7821    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -1.0599   -0.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4331    1.1865   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698   -1.3575   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126   -1.1526   -2.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  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
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  8  2  1  0
 16  9  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
 17 29  1  0
M  END


  Mrv1652310061716302D          

 17 18  0  0  0  0            999 V2000
    1.7044   -3.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -4.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 11  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17  4  1  0  0  0  0
 17  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246131

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(C(O)C1O)N1C=CC(O)=NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)

> <INCHI_KEY>
DRTQHJPVMGBUCF-UHFFFAOYSA-N

> <FORMULA>
C9H12N2O6

> <MOLECULAR_WEIGHT>
244.2014

> <EXACT_MASS>
244.069536126

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
21.82875705473748

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one

> <ALOGPS_LOGP>
-1.93

> <JCHEM_LOGP>
-2.047741337333334

> <ALOGPS_LOGS>
-0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.553247165416206

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.480089429781644

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98029983295402

> <JCHEM_POLAR_SURFACE_AREA>
122.82000000000001

> <JCHEM_REFRACTIVITY>
52.887299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.36e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyrimidin-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0248555
     RDKit          3D
ARABINOFURANOSYLURACIL
 29 30  0  0  0  0  0  0  0  0999 V2000
    0.8121    1.3638    1.9418 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6699    0.8085    1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.5511    1.7233 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.0368    0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841   -0.3213    1.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269   -0.3690   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -0.0847   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    0.5024   -0.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503    0.7956   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716    1.3209    0.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7567    0.3920    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530    1.0173    1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837    0.0150    1.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.1555   -0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593    0.8367   -1.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411   -0.4351   -1.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224   -0.4865   -2.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319   -0.0066    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   -0.8451   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242   -0.3343   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038    1.5228   -1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074   -0.4177    1.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609    1.4912    2.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762    1.7780    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509   -0.7821    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -1.0599   -0.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4331    1.1865   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698   -1.3575   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126   -1.1526   -2.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  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
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  8  2  1  0
 16  9  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
 17 29  1  0
M  END

HEADER    PROTEIN                                 06-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-OCT-17         0                                  
HETATM    1  C   UNK     0       3.182  -6.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.087  -5.138   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.846  -0.544   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.381  -1.020   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.650  -6.222   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.136  -0.115   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.890  -1.020   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.366  -2.485   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.929  -3.570   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       1.024  -4.816   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       3.460  -3.731   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0       8.166   0.962   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.745  -7.468   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.136   1.425   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       2.425  -0.544   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       1.302  -2.163   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.906  -2.485   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1   11                                                       
CONECT    3    4   12                                                       
CONECT    4    3    6   17                                                  
CONECT    5    1   10   13                                                  
CONECT    6    4    7   14                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7   11   17                                                  
CONECT    9   10   11   16                                                  
CONECT   10    5    9                                                       
CONECT   11    2    8    9                                                  
CONECT   12    3                                                            
CONECT   13    5                                                            
CONECT   14    6                                                            
CONECT   15    7                                                            
CONECT   16    9                                                            
CONECT   17    4    8                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

COMPND    HMDB0246131
HETATM    1  O1  UNL     1       1.518  -2.076  -1.306  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.035  -1.016  -0.899  1.00  0.00           C  
HETATM    3  N1  UNL     1       3.359  -0.820  -0.805  1.00  0.00           N  
HETATM    4  C2  UNL     1       3.886   0.336  -0.360  1.00  0.00           C  
HETATM    5  O2  UNL     1       5.268   0.539  -0.263  1.00  0.00           O  
HETATM    6  C3  UNL     1       3.066   1.363   0.014  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.708   1.172  -0.079  1.00  0.00           C  
HETATM    8  N2  UNL     1       1.213  -0.002  -0.529  1.00  0.00           N  
HETATM    9  C5  UNL     1      -0.229  -0.118  -0.597  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.779   0.757   0.297  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.913   0.233   0.834  1.00  0.00           C  
HETATM   12  C7  UNL     1      -3.101   1.052   0.370  1.00  0.00           C  
HETATM   13  O4  UNL     1      -2.891   2.370   0.821  1.00  0.00           O  
HETATM   14  C8  UNL     1      -2.012  -1.208   0.492  1.00  0.00           C  
HETATM   15  O5  UNL     1      -2.092  -1.964   1.675  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.739  -1.499  -0.267  1.00  0.00           C  
HETATM   17  O6  UNL     1      -1.104  -2.115  -1.456  1.00  0.00           O  
HETATM   18  H1  UNL     1       5.675   0.562   0.677  1.00  0.00           H  
HETATM   19  H2  UNL     1       3.433   2.325   0.382  1.00  0.00           H  
HETATM   20  H3  UNL     1       1.040   1.993   0.220  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.494   0.163  -1.660  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.864   0.373   1.954  1.00  0.00           H  
HETATM   23  H6  UNL     1      -4.056   0.694   0.835  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.160   1.098  -0.734  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.277   2.865   0.221  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.911  -1.432  -0.093  1.00  0.00           H  
HETATM   27  H10 UNL     1      -1.185  -2.136   2.007  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.090  -2.086   0.380  1.00  0.00           H  
HETATM   29  H12 UNL     1      -1.305  -1.422  -2.132  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    8
CONECT    3    4    4
CONECT    4    5    6
CONECT    5   18
CONECT    6    7    7   19
CONECT    7    8   20
CONECT    8    9
CONECT    9   10   16   21
CONECT   10   11
CONECT   11   12   14   22
CONECT   12   13   23   24
CONECT   13   25
CONECT   14   15   16   26
CONECT   15   27
CONECT   16   17   28
CONECT   17   29
END

HMDB0248555
     RDKit          3D
ARABINOFURANOSYLURACIL
 29 30  0  0  0  0  0  0  0  0999 V2000
    0.8121    1.3638    1.9418 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6699    0.8085    1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.5511    1.7233 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.0368    0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841   -0.3213    1.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269   -0.3690   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -0.0847   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    0.5024   -0.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503    0.7956   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716    1.3209    0.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7567    0.3920    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530    1.0173    1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837    0.0150    1.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.1555   -0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593    0.8367   -1.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411   -0.4351   -1.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224   -0.4865   -2.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319   -0.0066    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   -0.8451   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242   -0.3343   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038    1.5228   -1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074   -0.4177    1.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609    1.4912    2.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762    1.7780    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509   -0.7821    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -1.0599   -0.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4331    1.1865   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698   -1.3575   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126   -1.1526   -2.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  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
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  8  2  1  0
 16  9  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
 17 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Ara-u	MeSH, HMDB
Arabinofuranoside, uracil	MeSH, HMDB
Arabinosyluracil	MeSH, HMDB
Sponguridine	MeSH, HMDB
Uracil arabinofuranoside	MeSH, HMDB
1 beta D Arabinofuranosyl uracil	MeSH, HMDB
Arabinofuranosyluracil	MeSH, HMDB
Arauridine	MeSH, HMDB
1-beta-D-Arabinofuranosyl uracil	MeSH, HMDB
Ara u	MeSH, HMDB
Arabinoside, uracil	MeSH, HMDB
Uracil arabinoside	MeSH, HMDB
Uracil, 1-beta-D-arabinofuranosyl	MeSH, HMDB

Chemical Formula

C₉H₁₂N₂O₆

Average Molecular Weight

244.2014

Monoisotopic Molecular Weight

244.069536126

IUPAC Name

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one

Traditional Name

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyrimidin-2-one

CAS Registry Number

Not Available

SMILES

OCC1OC(C(O)C1O)N1C=CC(O)=NC1=O

InChI Identifier

InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)

InChI Key

DRTQHJPVMGBUCF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleosides

Sub Class

Not Available

Direct Parent

Pyrimidine nucleosides

Alternative Parents

Substituents

Pyrimidine nucleoside
Glycosyl compound
N-glycosyl compound
Pentose monosaccharide
Pyrimidone
Hydropyrimidine
Monosaccharide
Pyrimidine
Vinylogous amide
Tetrahydrofuran
Heteroaromatic compound
Urea
Secondary alcohol
Lactam
Organoheterocyclic compound
Oxacycle
Azacycle
Hydrocarbon derivative
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Primary alcohol
Alcohol
Organic oxygen compound
Organic oxide
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

a pyrimidine ribonucleoside (URIDINE )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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
logP	-1.9	ALOGPS
logP	-2	ChemAxon
logS	-0.66	ALOGPS
pKa (Strongest Acidic)	7.48	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	122.82 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	52.89 m³·mol⁻¹	ChemAxon
Polarizability	21.83 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
AllCCS	[M+H]+	154.6	32859911
AllCCS	[M+H-H2O]+	150.8	32859911
AllCCS	[M+NH4]+	158.1	32859911
AllCCS	[M+Na]+	159.1	32859911
AllCCS	[M-H]-	151.9	32859911
AllCCS	[M+Na-2H]-	151.8	32859911
AllCCS	[M+HCOO]-	151.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione	OCC1OC(C(O)C1O)N1C=CC(O)=NC1=O	2180.1	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione	OCC1OC(C(O)C1O)N1C=CC(O)=NC1=O	2368.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O	2504.3	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O	2353.3	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O	3979.2	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(CO)OC1N1C=CC(O)=NC1=O	2492.8	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(CO)OC1N1C=CC(O)=NC1=O	2326.4	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(CO)OC1N1C=CC(O)=NC1=O	3897.5	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #3	C[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O	2515.9	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #3	C[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O	2312.9	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #3	C[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O	3872.4	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #4	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C=C1	2437.7	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #4	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C=C1	2318.9	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TMS,isomer #4	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C=C1	3891.9	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O)C1O	2421.1	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O)C1O	2418.4	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O)C1O	3351.4	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #2	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C)C1O	2469.1	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #2	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C)C1O	2409.4	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #2	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C)C1O	3278.6	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #3	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O[Si](C)(C)C	2483.8	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #3	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O[Si](C)(C)C	2406.8	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #3	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O[Si](C)(C)C	3260.9	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O[Si](C)(C)C	2478.2	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O[Si](C)(C)C	2393.8	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O[Si](C)(C)C	3168.0	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #5	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C)C=C1	2414.2	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #5	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C)C=C1	2382.7	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #5	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C)C=C1	3335.8	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #6	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O)C=C1	2429.5	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #6	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O)C=C1	2373.9	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TMS,isomer #6	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O)C=C1	3304.2	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O[Si](C)(C)C)C1O	2379.5	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O[Si](C)(C)C)C1O	2460.4	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O[Si](C)(C)C)C1O	2995.8	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #2	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O)C1O[Si](C)(C)C	2393.0	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #2	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O)C1O[Si](C)(C)C	2445.7	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #2	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O)C1O[Si](C)(C)C	2979.6	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #3	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2421.8	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #3	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2444.3	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #3	C[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2765.1	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #4	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	2374.5	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #4	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	2403.9	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TMS,isomer #4	C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	2909.7	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,4TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2346.1	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,4TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2451.8	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,4TMS,isomer #1	C[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C)=NC2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2629.9	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O	2759.5	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O	2587.8	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O	3910.8	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C=CC(O)=NC1=O	2767.0	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C=CC(O)=NC1=O	2567.3	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C=CC(O)=NC1=O	3840.6	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O	2771.1	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O	2553.3	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O	3820.5	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C=C1	2690.6	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C=C1	2560.6	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C=C1	3836.4	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O)C1O	2863.0	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O)C1O	2864.9	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O)C1O	3400.1	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O	2949.6	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O	2852.4	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O	3327.5	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O[Si](C)(C)C(C)(C)C	2956.7	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O[Si](C)(C)C(C)(C)C	2848.1	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O)C1O[Si](C)(C)C(C)(C)C	3310.8	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O[Si](C)(C)C(C)(C)C	2959.9	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O[Si](C)(C)C(C)(C)C	2831.1	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(O)=NC2=O)C1O[Si](C)(C)C(C)(C)C	3242.2	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	2868.4	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	2832.1	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	3386.6	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	2873.4	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	2826.4	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	3363.7	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O	3067.6	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O	3101.4	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O	3207.9	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O)C1O[Si](C)(C)C(C)(C)C	3076.5	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O)C1O[Si](C)(C)C(C)(C)C	3087.0	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O)C1O[Si](C)(C)C(C)(C)C	3195.0	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3089.7	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3078.9	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3056.2	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1	3054.1	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1	3045.8	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1	3139.2	Standard polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3232.9	Semi standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3237.1	Standard non polar	33892256
1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3024.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one GC-MS (Non-derivatized) - 70eV, Positive	splash10-05dl-9320000000-2afab6e9d1feac461929	2018-04-09	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-08mi-9400000000-bafe048989f1a5c86d2d	2015-03-01	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 6V, Positive-QTOF	splash10-0ikc-0960000000-a6144f989ab0265ae570	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 6V, Negative-QTOF	splash10-0ikc-0960000000-4d5f644c26c8075a19e4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 6V, Positive-QTOF	splash10-03di-1910000000-ece60b81083237d9aa08	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 10V, Positive-QTOF	splash10-03di-0920000000-f60b9b6df34543e9b616	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 20V, Positive-QTOF	splash10-03di-5900000000-5c69b168e9a3f31677c6	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 40V, Positive-QTOF	splash10-03kc-9500000000-c67a54f74c02db63bcef	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 10V, Negative-QTOF	splash10-03dl-3950000000-c0ddf70dea0b77526723	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 20V, Negative-QTOF	splash10-01ox-7930000000-f43bb9db3562aa071291	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 40V, Negative-QTOF	splash10-0006-9100000000-a73436073bfa59d6a129	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 10V, Positive-QTOF	splash10-03xr-1900000000-6d02084336b9f764d1a4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 20V, Positive-QTOF	splash10-03di-3910000000-9d23b21803c03763fa8e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 40V, Positive-QTOF	splash10-03dl-9400000000-8ac142530715a840c4dd	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 10V, Negative-QTOF	splash10-01r6-0790000000-b10b89b7ec5c276ced12	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 20V, Negative-QTOF	splash10-03dl-4910000000-ae8c806db76e883a6e7e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 40V, Negative-QTOF	splash10-0006-9200000000-d585c286d26a69e10660	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB007411

KNApSAcK ID

C00000143

Chemspider ID

1144

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Uridine

METLIN ID

Not Available

PubChem Compound

1177

PDB ID

Not Available

ChEBI ID

143353

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)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (HMDB0246131)

MOL for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

3D MOL for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

3D SDF for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

3D-SDF for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

PDB for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

3D PDB for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

SMILES for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

INCHI for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

Structure for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

3D Structure for HMDB0246131 (1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra