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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (12) Show 12 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:40:09 UTC

HMDB ID

HMDB0001000

Secondary Accession Numbers

HMDB01000

Metabolite Identification

Common Name

dUDP

Description

dUDP belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. dUDP is an extremely weak basic (essentially neutral) compound (based on its pKa). dUDP exists in all eukaryotes, ranging from yeast to humans. Within humans, dUDP participates in a number of enzymatic reactions. In particular, dUDP can be biosynthesized from deoxyuridine triphosphate through its interaction with the enzyme nucleoside diphosphate kinase 6. In addition, dUDP can be biosynthesized from dUMP; which is mediated by the enzyme thymidylate synthase. In humans, dUDP is involved in the metabolic disorder called the beta-ureidopropionase deficiency pathway. Outside of the human body, dUDP has been detected, but not quantified in, several different foods, such as sour cherries, strawberries, cassava, pomes, and alpine sweetvetchs. This could make dUDP a potential biomarker for the consumption of these foods.

Structure

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

HMDB0001000
     RDKit          3D
dUDP
 38 39  0  0  0  0  0  0  0  0999 V2000
    5.7898    0.1755    3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.2102    2.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.7168    2.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -0.6536    1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3215    0.4142 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.3775   -0.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0209   -0.9401   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.1981   -1.5020 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872   -1.6739   -2.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.1905   -1.2439 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4976    0.1566   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271    1.4131   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556    1.4336   -0.0883 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.3953    1.5226   -1.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874    2.8094    0.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    0.0846    0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.7116    0.2508 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.1799    0.1876   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2539   -1.2201    1.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -2.0713   -0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    0.5906   -0.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.2165    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    2.1132   -0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    1.1725    1.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -1.4823    3.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -1.3876    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.2399   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.7530   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.7444   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   -1.9194   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307   -2.6361   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    0.7809   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -0.0742   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -0.5678   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    3.1187    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5942   -1.5945    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -2.3981   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    1.8831    1.4807 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 10 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 21  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  1
  9 31  1  0
 10 32  1  6
 11 33  1  0
 11 34  1  0
 15 35  1  0
 19 36  1  0
 20 37  1  0
 24 38  1  0
M  END


  Mrv1652307202023202D          

 24 25  0  0  0  0            999 V2000
 9997.189910000.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7584 9998.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6710 9999.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.202810001.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.386710000.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.1003 9999.6841    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.816010000.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6878 9998.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.5128 9998.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.5358 9999.6962    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1233 9998.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.251510000.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9483 9998.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.189210000.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4747 9999.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4747 9998.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1892 9998.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9037 9998.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9037 9999.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2903 9999.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.622910000.0864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.877810000.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.702810000.8710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.957710000.0864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 19  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 24  3  1  1  0  0  0
 23  4  1  6  0  0  0
  1 14  2  0  0  0  0
 21 19  1  1  0  0  0
 16  2  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001000

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

> <INCHI_KEY>
QHWZTVCCBMIIKE-SHYZEUOFSA-N

> <FORMULA>
C9H14N2O11P2

> <MOLECULAR_WEIGHT>
388.1618

> <EXACT_MASS>
388.007282324

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
29.831689347500404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
-2.0599685889999995

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.210405158752114

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7717479360816935

> <JCHEM_PKA_STRONGEST_BASIC>
-3.240344155883659

> <JCHEM_POLAR_SURFACE_AREA>
192.15999999999994

> <JCHEM_REFRACTIVITY>
72.8007

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dUDP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001000
     RDKit          3D
dUDP
 38 39  0  0  0  0  0  0  0  0999 V2000
    5.7898    0.1755    3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.2102    2.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.7168    2.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -0.6536    1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3215    0.4142 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.3775   -0.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0209   -0.9401   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.1981   -1.5020 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872   -1.6739   -2.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.1905   -1.2439 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4976    0.1566   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271    1.4131   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556    1.4336   -0.0883 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.3953    1.5226   -1.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874    2.8094    0.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    0.0846    0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.7116    0.2508 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.1799    0.1876   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2539   -1.2201    1.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -2.0713   -0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    0.5906   -0.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.2165    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    2.1132   -0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    1.1725    1.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -1.4823    3.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -1.3876    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.2399   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.7530   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.7444   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   -1.9194   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307   -2.6361   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    0.7809   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -0.0742   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -0.5678   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    3.1187    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5942   -1.5945    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -2.3981   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    1.8831    1.4807 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 10 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 21  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  1
  9 31  1  0
 10 32  1  6
 11 33  1  0
 11 34  1  0
 15 35  1  0
 19 36  1  0
 20 37  1  0
 24 38  1  0
M  END

HEADER    PROTEIN                                 20-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUL-20         0                                  
HETATM    1  O   UNK     0    8661.4218668.385   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8658.7498663.764   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8667.9198666.077   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8667.0458669.532   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8669.2558666.845   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0    8670.5878666.077   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0    8671.9238666.845   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8669.8178664.743   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8671.3578664.743   0.000  0.00  0.00           O+0
HETATM   10  P   UNK     0    8673.2678666.100   0.000  0.00  0.00           P+0
HETATM   11  O   UNK     0    8672.4978664.770   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8674.6038666.872   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8674.0378664.770   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8661.4208666.846   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0    8660.0868666.076   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0    8660.0868664.536   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8661.4208663.766   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8662.7548664.536   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    8662.7548666.076   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0    8665.3428665.923   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0    8664.0968666.828   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8664.5728668.293   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8666.1128668.293   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8666.5888666.828   0.000  0.00  0.00           C+0
CONECT    1   14                                                            
CONECT    2   16                                                            
CONECT    3    5   24                                                       
CONECT    4   23                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8    9                                             
CONECT    7    6   10                                                       
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    7   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10                                                            
CONECT   14   15   19    1                                                  
CONECT   15   14   16                                                       
CONECT   16   17   15    2                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   14   18   21                                                  
CONECT   20   21   24                                                       
CONECT   21   22   20   19                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24    4                                                  
CONECT   24   23   20    3                                                  
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0001000
HETATM    1  O1  UNL     1       5.790   0.175   3.318  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.906   0.210   2.400  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.902  -0.717   2.349  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.949  -0.654   1.332  1.00  0.00           C  
HETATM    5  N1  UNL     1       3.029   0.322   0.414  1.00  0.00           N  
HETATM    6  C4  UNL     1       2.040   0.378  -0.630  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.021  -0.940  -1.369  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.517  -1.198  -1.502  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.187  -1.674  -2.759  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.029   0.190  -1.244  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.498   0.157  -0.890  1.00  0.00           C  
HETATM   12  O3  UNL     1      -1.927   1.413  -0.494  1.00  0.00           O  
HETATM   13  P1  UNL     1      -3.556   1.434  -0.088  1.00  0.00           P  
HETATM   14  O4  UNL     1      -4.395   1.523  -1.337  1.00  0.00           O  
HETATM   15  O5  UNL     1      -3.887   2.809   0.837  1.00  0.00           O  
HETATM   16  O6  UNL     1      -3.973   0.085   0.841  1.00  0.00           O  
HETATM   17  P2  UNL     1      -5.322  -0.712   0.251  1.00  0.00           P  
HETATM   18  O7  UNL     1      -6.180   0.188  -0.625  1.00  0.00           O  
HETATM   19  O8  UNL     1      -6.254  -1.220   1.581  1.00  0.00           O  
HETATM   20  O9  UNL     1      -4.938  -2.071  -0.657  1.00  0.00           O  
HETATM   21  O10 UNL     1       0.752   0.591  -0.156  1.00  0.00           O  
HETATM   22  C9  UNL     1       4.015   1.216   0.481  1.00  0.00           C  
HETATM   23  O11 UNL     1       4.070   2.113  -0.382  1.00  0.00           O  
HETATM   24  N2  UNL     1       4.955   1.172   1.464  1.00  0.00           N  
HETATM   25  H1  UNL     1       3.860  -1.482   3.091  1.00  0.00           H  
HETATM   26  H2  UNL     1       2.168  -1.388   1.305  1.00  0.00           H  
HETATM   27  H3  UNL     1       2.270   1.240  -1.305  1.00  0.00           H  
HETATM   28  H4  UNL     1       2.408  -0.753  -2.383  1.00  0.00           H  
HETATM   29  H5  UNL     1       2.532  -1.744  -0.826  1.00  0.00           H  
HETATM   30  H6  UNL     1       0.201  -1.919  -0.701  1.00  0.00           H  
HETATM   31  H7  UNL     1      -0.031  -2.636  -2.672  1.00  0.00           H  
HETATM   32  H8  UNL     1       0.145   0.781  -2.149  1.00  0.00           H  
HETATM   33  H9  UNL     1      -2.040  -0.074  -1.844  1.00  0.00           H  
HETATM   34  H10 UNL     1      -1.726  -0.568  -0.097  1.00  0.00           H  
HETATM   35  H11 UNL     1      -3.052   3.119   1.227  1.00  0.00           H  
HETATM   36  H12 UNL     1      -5.594  -1.594   2.244  1.00  0.00           H  
HETATM   37  H13 UNL     1      -4.017  -2.398  -0.506  1.00  0.00           H  
HETATM   38  H14 UNL     1       5.701   1.883   1.481  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   24
CONECT    3    4    4   25
CONECT    4    5   26
CONECT    5    6   22
CONECT    6    7   21   27
CONECT    7    8   28   29
CONECT    8    9   10   30
CONECT    9   31
CONECT   10   11   21   32
CONECT   11   12   33   34
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   35
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   36
CONECT   20   37
CONECT   22   23   23   24
CONECT   24   38
END

HMDB0001000
     RDKit          3D
dUDP
 38 39  0  0  0  0  0  0  0  0999 V2000
    5.7898    0.1755    3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.2102    2.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.7168    2.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -0.6536    1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3215    0.4142 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.3775   -0.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0209   -0.9401   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.1981   -1.5020 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872   -1.6739   -2.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.1905   -1.2439 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4976    0.1566   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271    1.4131   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556    1.4336   -0.0883 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.3953    1.5226   -1.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874    2.8094    0.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    0.0846    0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.7116    0.2508 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.1799    0.1876   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2539   -1.2201    1.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -2.0713   -0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    0.5906   -0.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.2165    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    2.1132   -0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    1.1725    1.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -1.4823    3.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -1.3876    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.2399   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.7530   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.7444   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   -1.9194   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307   -2.6361   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    0.7809   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -0.0742   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -0.5678   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    3.1187    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5942   -1.5945    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -2.3981   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    1.8831    1.4807 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 10 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 21  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  1
  9 31  1  0
 10 32  1  6
 11 33  1  0
 11 34  1  0
 15 35  1  0
 19 36  1  0
 20 37  1  0
 24 38  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2'-Deoxyuridine 5'-diphosphate	ChEBI
2'-Deoxyuridine 5'-diphosphoric acid	Generator
2'-Deoxyuridine-5'-diphosphate	HMDB
Deoxyuridine-diphosphate	HMDB
2'-Deoxyuridine 5'-(trihydrogen diphosphate)	HMDB
2’-Deoxyuridine 5’-(trihydrogen diphosphate)	HMDB
2’-Deoxyuridine 5’-diphosphate	HMDB
Deoxyuridine 5'-diphosphate	HMDB
Deoxyuridine 5’-diphosphate	HMDB
Deoxyuridine diphosphate	HMDB
dUDP	HMDB

Chemical Formula

C₉H₁₄N₂O₁₁P₂

Average Molecular Weight

388.1618

Monoisotopic Molecular Weight

388.007282324

IUPAC Name

[({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

Traditional Name

dUDP

CAS Registry Number

4208-67-7

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O

InChI Identifier

InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChI Key

QHWZTVCCBMIIKE-SHYZEUOFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine deoxyribonucleotides

Direct Parent

Pyrimidine 2'-deoxyribonucleoside diphosphates

Alternative Parents

Substituents

Pyrimidine 2'-deoxyribonucleoside diphosphate
Organic pyrophosphate
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Lactam
Urea
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Alcohol
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

pyrimidine 2'-deoxyribonucleoside 5'-diphosphate (CHEBI:28850 )
deoxyuridine phosphate (CHEBI:28850 )
Deoxyribonucleotides (C01346 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Organelle

Mitochondria

Mitochondria (HMDB: HMDB0001000)

Biofluid or Excreta

Blood (HMDB: HMDB0001000)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 7877593)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0001000)

Source

Endogenous

Endogenous (HMDB: HMDB0001000)

Plant

Animal

Animal (HMDB: HMDB0001000)

Exogenous

Food

Food (HMDB: HMDB0001000)

Animal origin

Poultry

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Pyrimidine Metabolism (HMDB: HMDB0001000)
Pyrimidine Metabolism (PathBank: SMP0002370)

MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy) (HMDB: HMDB0001000)

Disease pathway

beta-Ureidopropionase Deficiency (PathBank: SMP0000172)
UMP Synthase Deficiency (Orotic Aciduria) (PathBank: SMP0000219)
Dihydropyrimidinase Deficiency (PathBank: SMP0000178)
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy) (PathBank: SMP0000202)

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001000)

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	8.03 g/L	ALOGPS
logP	-0.99	ALOGPS
logP	-2.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	192.16 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	72.8 m³·mol⁻¹	ChemAxon
Polarizability	29.83 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
DarkChem	[M+H]+	183.55	31661259
DarkChem	[M-H]-	176.693	31661259
AllCCS	[M+H]+	179.067	32859911
AllCCS	[M-H]-	172.523	32859911
DeepCCS	[M+H]+	170.725	30932474
DeepCCS	[M-H]-	168.367	30932474
DeepCCS	[M-2H]-	203.078	30932474
DeepCCS	[M+Na]+	177.874	30932474
AllCCS	[M+H]+	179.1	32859911
AllCCS	[M+H-H2O]+	176.4	32859911
AllCCS	[M+NH4]+	181.5	32859911
AllCCS	[M+Na]+	182.2	32859911
AllCCS	[M-H]-	172.5	32859911
AllCCS	[M+Na-2H]-	172.5	32859911
AllCCS	[M+HCOO]-	172.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
dUDP	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	4163.8	Standard polar	33892256
dUDP	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	2346.9	Standard non polar	33892256
dUDP	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	3516.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
dUDP,1TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	3104.8	Semi standard non polar	33892256
dUDP,1TMS,isomer #2	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O)O	3181.2	Semi standard non polar	33892256
dUDP,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	3164.7	Semi standard non polar	33892256
dUDP,1TMS,isomer #4	C[Si](C)(C)N1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C1=O	3174.4	Semi standard non polar	33892256
dUDP,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3067.4	Semi standard non polar	33892256
dUDP,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3188.2	Standard non polar	33892256
dUDP,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4573.6	Standard polar	33892256
dUDP,2TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3078.3	Semi standard non polar	33892256
dUDP,2TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3187.8	Standard non polar	33892256
dUDP,2TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	4643.1	Standard polar	33892256
dUDP,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	3096.9	Semi standard non polar	33892256
dUDP,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	3196.3	Standard non polar	33892256
dUDP,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	4962.7	Standard polar	33892256
dUDP,2TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)O[Si](C)(C)C	3127.8	Semi standard non polar	33892256
dUDP,2TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)O[Si](C)(C)C	3255.2	Standard non polar	33892256
dUDP,2TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)O[Si](C)(C)C	4338.7	Standard polar	33892256
dUDP,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O)O	3157.0	Semi standard non polar	33892256
dUDP,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O)O	3252.1	Standard non polar	33892256
dUDP,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O)O	4632.1	Standard polar	33892256
dUDP,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	3134.0	Semi standard non polar	33892256
dUDP,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	3248.2	Standard non polar	33892256
dUDP,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	4360.2	Standard polar	33892256
dUDP,2TMS,isomer #7	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O	3153.4	Semi standard non polar	33892256
dUDP,2TMS,isomer #7	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O	3250.8	Standard non polar	33892256
dUDP,2TMS,isomer #7	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O	4694.6	Standard polar	33892256
dUDP,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3077.8	Semi standard non polar	33892256
dUDP,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3245.6	Standard non polar	33892256
dUDP,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	4132.2	Standard polar	33892256
dUDP,3TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3079.7	Semi standard non polar	33892256
dUDP,3TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3261.9	Standard non polar	33892256
dUDP,3TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4342.1	Standard polar	33892256
dUDP,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3077.8	Semi standard non polar	33892256
dUDP,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3233.2	Standard non polar	33892256
dUDP,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4131.7	Standard polar	33892256
dUDP,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3092.3	Semi standard non polar	33892256
dUDP,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3253.4	Standard non polar	33892256
dUDP,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C	4417.3	Standard polar	33892256
dUDP,3TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3138.5	Semi standard non polar	33892256
dUDP,3TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3292.2	Standard non polar	33892256
dUDP,3TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3886.0	Standard polar	33892256
dUDP,3TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)O[Si](C)(C)C	3140.1	Semi standard non polar	33892256
dUDP,3TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)O[Si](C)(C)C	3301.1	Standard non polar	33892256
dUDP,3TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)O[Si](C)(C)C	4155.9	Standard polar	33892256
dUDP,3TMS,isomer #7	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O	3144.9	Semi standard non polar	33892256
dUDP,3TMS,isomer #7	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O	3294.9	Standard non polar	33892256
dUDP,3TMS,isomer #7	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O	4160.3	Standard polar	33892256
dUDP,4TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3083.3	Semi standard non polar	33892256
dUDP,4TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3279.4	Standard non polar	33892256
dUDP,4TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3711.3	Standard polar	33892256
dUDP,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3123.4	Semi standard non polar	33892256
dUDP,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3270.3	Standard non polar	33892256
dUDP,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3938.9	Standard polar	33892256
dUDP,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3125.3	Semi standard non polar	33892256
dUDP,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3263.7	Standard non polar	33892256
dUDP,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3926.0	Standard polar	33892256
dUDP,4TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3163.8	Semi standard non polar	33892256
dUDP,4TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3309.5	Standard non polar	33892256
dUDP,4TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3711.3	Standard polar	33892256
dUDP,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3167.0	Semi standard non polar	33892256
dUDP,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3253.8	Standard non polar	33892256
dUDP,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3534.6	Standard polar	33892256
dUDP,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	3342.0	Semi standard non polar	33892256
dUDP,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O)O	3407.6	Semi standard non polar	33892256
dUDP,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	3401.1	Semi standard non polar	33892256
dUDP,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C1=O	3396.9	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3529.6	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3627.7	Standard non polar	33892256
dUDP,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4686.0	Standard polar	33892256
dUDP,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3541.5	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3630.6	Standard non polar	33892256
dUDP,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4744.0	Standard polar	33892256
dUDP,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	3561.3	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	3615.3	Standard non polar	33892256
dUDP,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O	4904.0	Standard polar	33892256
dUDP,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3560.7	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3645.9	Standard non polar	33892256
dUDP,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4509.8	Standard polar	33892256
dUDP,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O)O	3606.6	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O)O	3646.2	Standard non polar	33892256
dUDP,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O)O	4694.2	Standard polar	33892256
dUDP,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	3561.5	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	3626.7	Standard non polar	33892256
dUDP,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O	4533.6	Standard polar	33892256
dUDP,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O	3604.4	Semi standard non polar	33892256
dUDP,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O	3646.4	Standard non polar	33892256
dUDP,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O	4747.5	Standard polar	33892256
dUDP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3716.9	Semi standard non polar	33892256
dUDP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3838.8	Standard non polar	33892256
dUDP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4307.0	Standard polar	33892256
dUDP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3761.7	Semi standard non polar	33892256
dUDP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3826.7	Standard non polar	33892256
dUDP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4461.6	Standard polar	33892256
dUDP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3717.0	Semi standard non polar	33892256
dUDP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3810.1	Standard non polar	33892256
dUDP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4317.0	Standard polar	33892256
dUDP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3761.4	Semi standard non polar	33892256
dUDP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3828.0	Standard non polar	33892256
dUDP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4529.2	Standard polar	33892256
dUDP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3733.0	Semi standard non polar	33892256
dUDP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3831.3	Standard non polar	33892256
dUDP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4090.2	Standard polar	33892256
dUDP,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3802.4	Semi standard non polar	33892256
dUDP,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3855.8	Standard non polar	33892256
dUDP,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4295.3	Standard polar	33892256
dUDP,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O	3798.8	Semi standard non polar	33892256
dUDP,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O	3833.9	Standard non polar	33892256
dUDP,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O	4305.9	Standard polar	33892256
dUDP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3887.0	Semi standard non polar	33892256
dUDP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3921.0	Standard non polar	33892256
dUDP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)[NH]C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3959.9	Standard polar	33892256
dUDP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3971.2	Semi standard non polar	33892256
dUDP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3940.0	Standard non polar	33892256
dUDP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4117.1	Standard polar	33892256
dUDP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3969.8	Semi standard non polar	33892256
dUDP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3915.5	Standard non polar	33892256
dUDP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4123.6	Standard polar	33892256
dUDP,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3991.0	Semi standard non polar	33892256
dUDP,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3940.2	Standard non polar	33892256
dUDP,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3934.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (Non-derivatized) - 70eV, Positive	splash10-004m-6911000000-1f7795debc1eaf0802e6	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (1 TMS) - 70eV, Positive	splash10-002g-9741200000-2a5ff084260317ace541	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dUDP GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 10V, Positive-QTOF	splash10-03di-1900000000-3d46a12380fc537ed482	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 20V, Positive-QTOF	splash10-03di-4910000000-e4d9c69da2a4f1af3f7d	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 40V, Positive-QTOF	splash10-03di-6900000000-38fc58820b65e6b77481	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 10V, Negative-QTOF	splash10-0006-6309000000-e32a735e5de73376968b	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 20V, Negative-QTOF	splash10-056u-9801000000-189cbc835aaa1c3340b1	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 40V, Negative-QTOF	splash10-004i-9100000000-07b08a59c26df7bb2d1e	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 10V, Negative-QTOF	splash10-000i-0009000000-aa2d362ee8b723b7d488	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 20V, Negative-QTOF	splash10-004i-9111000000-b30fec320d4d01519c03	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 40V, Negative-QTOF	splash10-004i-9000000000-5632c2fa3d2d7c954d90	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 10V, Positive-QTOF	splash10-03di-3913000000-cbd6b90181ad2dcbef10	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 20V, Positive-QTOF	splash10-03di-6910000000-514b52784d71478993f8	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dUDP 40V, Positive-QTOF	splash10-03di-4900000000-32241af48bd1f1fd6e37	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria
Nucleus

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Pyrimidine metabolism	Not Available
Beta Ureidopropionase Deficiency		Not Available
UMP Synthase Deficiency (Orotic Aciduria)		Not Available
Dihydropyrimidinase Deficiency		Not Available
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.5 +/- 0.1 uM	Adult (>18 years old)	Both	Normal	7877593	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB03413

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022361

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

5931

PubChem Compound

145729

PDB ID

Not Available

ChEBI ID

28850

Food Biomarker Ontology

Not Available

VMH ID

DUDP

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Diaz C, Valverde L, Brenes O, Rucavado A, Gutierrez JM: Characterization of events associated with apoptosis/anoikis induced by snake venom metalloproteinase BaP1 on human endothelial cells. J Cell Biochem. 2005 Feb 15;94(3):520-8. [PubMed:15543558 ]
Lambard S, Galeraud-Denis I, Martin G, Levy R, Chocat A, Carreau S: Analysis and significance of mRNA in human ejaculated sperm from normozoospermic donors: relationship to sperm motility and capacitation. Mol Hum Reprod. 2004 Jul;10(7):535-41. Epub 2004 Apr 20. [PubMed:15100385 ]
Wang J, Ohara N, Takekida S, Xu Q, Maruo T: Comparative effects of heparin-binding epidermal growth factor-like growth factor on the growth of cultured human uterine leiomyoma cells and myometrial cells. Hum Reprod. 2005 Jun;20(6):1456-65. Epub 2005 Mar 10. [PubMed:15760954 ]
Di Simone N, Riccardi P, Maggiano N, Piacentani A, D'Asta M, Capelli A, Caruso A: Effect of folic acid on homocysteine-induced trophoblast apoptosis. Mol Hum Reprod. 2004 Sep;10(9):665-9. Epub 2004 Jul 30. [PubMed:15286211 ]
Duran EH, Morshedi M, Taylor S, Oehninger S: Sperm DNA quality predicts intrauterine insemination outcome: a prospective cohort study. Hum Reprod. 2002 Dec;17(12):3122-8. [PubMed:12456611 ]
Henkel R, Hajimohammad M, Stalf T, Hoogendijk C, Mehnert C, Menkveld R, Gips H, Schill WB, Kruger TF: Influence of deoxyribonucleic acid damage on fertilization and pregnancy. Fertil Steril. 2004 Apr;81(4):965-72. [PubMed:15066449 ]
Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Thymidylate kinase

General function:: Involved in thymidylate kinase activity
Specific function:: Catalyzes the conversion of dTMP to dTDP.
Gene Name:: DTYMK
Uniprot ID:: P23919
Molecular weight:: 23819.105

Reactions

Adenosine triphosphate + dUMP → ADP + dUDP	details

Enzyme Details

2. Uridine-cytidine kinase 1

General function:: Involved in ATP binding
Specific function:: Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate donor. Can also phosphorylate cytidine and uridine nucleoside analogs such as 6-azauridine, 5-fluorouridine, 4-thiouridine, 5-bromouridine, N(4)-acetylcytidine, N(4)-benzoylcytidine, 5-fluorocytidine, 2-thiocytidine, 5-methylcytidine, and N(4)-anisoylcytidine.
Gene Name:: UCK1
Uniprot ID:: Q9HA47
Molecular weight:: 22760.43

Reactions

Deoxyuridine triphosphate + Uridine → dUDP + Uridine 5'-monophosphate	details
Deoxyuridine triphosphate + Cytidine → dUDP + Cytidine monophosphate	details

Enzyme Details

3. Nucleoside diphosphate kinase, mitochondrial

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:: NME4
Uniprot ID:: O00746
Molecular weight:: 20658.45

Reactions

Adenosine triphosphate + dUDP → ADP + Deoxyuridine triphosphate	details

Enzyme Details

4. Nucleoside diphosphate kinase A

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:: NME1
Uniprot ID:: P15531
Molecular weight:: 17148.635

Reactions

Adenosine triphosphate + dUDP → ADP + Deoxyuridine triphosphate	details

Enzyme Details

5. Nucleoside diphosphate kinase 7

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:: NME7
Uniprot ID:: Q9Y5B8
Molecular weight:: 42491.365

Reactions

Adenosine triphosphate + dUDP → ADP + Deoxyuridine triphosphate	details

Enzyme Details

6. Nucleoside diphosphate kinase B

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:: NME2
Uniprot ID:: P22392
Molecular weight:: 30136.92

Reactions

Adenosine triphosphate + dUDP → ADP + Deoxyuridine triphosphate	details

Enzyme Details

7. Nucleoside diphosphate kinase 3

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Probably has a role in normal hematopoiesis by inhibition of granulocyte differentiation and induction of apoptosis.
Gene Name:: NME3
Uniprot ID:: Q13232
Molecular weight:: 19014.85

Reactions

Adenosine triphosphate + dUDP → ADP + Deoxyuridine triphosphate	details

Enzyme Details

8. Nucleoside diphosphate kinase 6

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Inhibitor of p53-induced apoptosis.
Gene Name:: NME6
Uniprot ID:: O75414
Molecular weight:: 22002.965

Reactions

Adenosine triphosphate + dUDP → ADP + Deoxyuridine triphosphate	details

Enzyme Details

9. Uridine-cytidine kinase 2

General function:: Involved in ATP binding
Specific function:: Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate donor. Can also phosphorylate cytidine and uridine nucleoside analogs such as 6-azauridine, 5-fluorouridine, 4-thiouridine, 5-bromouridine, N(4)-acetylcytidine, N(4)-benzoylcytidine, 5-fluorocytidine, 2-thiocytidine, 5-methylcytidine, and N(4)-anisoylcytidine.
Gene Name:: UCK2
Uniprot ID:: Q9BZX2
Molecular weight:: 29298.92

Reactions

Deoxyuridine triphosphate + Uridine → dUDP + Uridine 5'-monophosphate	details
Deoxyuridine triphosphate + Cytidine → dUDP + Cytidine monophosphate	details

Enzyme Details

10. Ribonucleoside-diphosphate reductase subunit M2 B

General function:: Involved in oxidoreductase activity
Specific function:: Plays a pivotal role in cell survival by repairing damaged DNA in a p53/TP53-dependent manner. Supplies deoxyribonucleotides for DNA repair in cells arrested at G1 or G2. Contains an iron-tyrosyl free radical center required for catalysis. Forms an active ribonucleotide reductase (RNR) complex with RRM1 which is expressed both in resting and proliferating cells in response to DNA damage.
Gene Name:: RRM2B
Uniprot ID:: Q7LG56
Molecular weight:: 48786.6

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Showing metabocard for dUDP (HMDB0001000)

MOL for HMDB0001000 (dUDP)

3D MOL for HMDB0001000 (dUDP)

3D SDF for HMDB0001000 (dUDP)

3D-SDF for HMDB0001000 (dUDP)

PDB for HMDB0001000 (dUDP)

3D PDB for HMDB0001000 (dUDP)

SMILES for HMDB0001000 (dUDP)

INCHI for HMDB0001000 (dUDP)

Structure for HMDB0001000 (dUDP)

3D Structure for HMDB0001000 (dUDP)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

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