Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02957"
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rdfs:label |
"Orotidine-5'-Monophosphate"
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owl:sameAs | |
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owl:sameAs | |
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owl:sameAs | |
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rdf:type | |
owl:sameAs | |
ns1:description |
"
experimental
This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.
Pyrimidine Ribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentose Phosphates
Monosaccharide Phosphates
Pyrimidinecarboxylic Acids
Hydropyrimidine Carboxylic Acids and Derivatives
Pyrimidones
Organophosphate Esters
Organic Phosphoric Acids
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Polyamines
Enolates
Carboxylic Acids
Ethers
pentose-5-phosphate
pentose phosphate
monosaccharide phosphate
pentose monosaccharide
pyrimidine-6-carboxylic acid
hydropyrimidine carboxylic acid derivative
pyrimidine-6-carboxylic acid or derivative
pyrimidone
pyrimidine
phosphoric acid ester
organic phosphate
hydropyrimidine
monosaccharide
tetrahydrofuran
oxolane
secondary alcohol
1,2-diol
polyamine
carboxylic acid
ether
enolate
carboxylic acid derivative
organonitrogen compound
amine
alcohol
logP
-1.7
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
8.61e+00 g/l
ALOGPS
logP
-2.9
ChemAxon
IUPAC Name
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
ChemAxon
Traditional IUPAC Name
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1H-pyrimidine-4-carboxylic acid
ChemAxon
Molecular Weight
368.1908
ChemAxon
Monoisotopic Weight
368.02569578
ChemAxon
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O
ChemAxon
Molecular Formula
C10H13N2O11P
ChemAxon
InChI
InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7+,8+/m0/s1
ChemAxon
InChIKey
InChIKey=KYOBSHFOBAOFBF-ZAKLUEHWSA-N
ChemAxon
Polar Surface Area (PSA)
203.16
ChemAxon
Refractivity
70.74
ChemAxon
Polarizability
29.37
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
1.21
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936537
PubChem Substance
46507709
BindingDB
21336
PDB
OMP
SMP00721
3-Phosphoglycerate dehydrogenase deficiency
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
SMP00219
UMP Synthase Deiciency (Orotic Aciduria)
DB00130
L-Glutamine
DB01373
Calcium
DB01592
Iron
DB01593
Zinc
DB02431
Cytidine-5'-Triphosphate
DB02745
Uridine
DB02957
Orotidine-5'-Monophosphate
DB03107
Beta-Alanine
DB03247
Riboflavin Monophosphate
DB03419
Uracil
DB03435
Uridine-5'-Diphosphate
DB03685
Uridine-5'-Monophosphate
DB04485
Deoxythymidine
P27708
Q02127
A8K5J1
Q8WVQ1
Q5EBM0
O75414
Q9UIJ7
Q9BY32
P17812
P49902
Q9Y2T3
O95045
Q12882
Q14117
Q9UBR1
P31350
Q7LG56
Q9NWZ5
P32320
P19971
P32321
P04183
P04818
P33316
SMP00004
Glycine and Serine Metabolism
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
SMP00172
Beta Ureidopropionase Deficiency
DB00130
L-Glutamine
DB01373
Calcium
DB01592
Iron
DB01593
Zinc
DB02431
Cytidine-5'-Triphosphate
DB02745
Uridine
DB02957
Orotidine-5'-Monophosphate
DB03107
Beta-Alanine
DB03247
Riboflavin Monophosphate
DB03419
Uracil
DB03435
Uridine-5'-Diphosphate
DB03685
Uridine-5'-Monophosphate
DB04485
Deoxythymidine
P27708
Q02127
A8K5J1
Q8WVQ1
Q5EBM0
O75414
Q9UIJ7
Q9BY32
P17812
P49902
Q9Y2T3
O95045
Q12882
Q14117
Q9UBR1
P31350
Q7LG56
Q9NWZ5
P32320
P19971
P32321
P04183
P04818
P33316
SMP00178
Dihydropyrimidinase Deficiency
DB00130
L-Glutamine
DB01373
Calcium
DB01592
Iron
DB01593
Zinc
DB02431
Cytidine-5'-Triphosphate
DB02745
Uridine
DB02957
Orotidine-5'-Monophosphate
DB03107
Beta-Alanine
DB03247
Riboflavin Monophosphate
DB03419
Uracil
DB03435
Uridine-5'-Diphosphate
DB03685
Uridine-5'-Monophosphate
DB04485
Deoxythymidine
P27708
Q02127
A8K5J1
Q8WVQ1
Q5EBM0
O75414
Q9UIJ7
Q9BY32
P17812
P49902
Q9Y2T3
O95045
Q12882
Q14117
Q9UBR1
P31350
Q7LG56
Q9NWZ5
P32320
P19971
P32321
P04183
P04818
P33316
SMP00179
Dihydropyrimidine Dehydrogenase Deficiency (DHPD)
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
SMP00242
Dimethylglycine Dehydrogenase Deficiency
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
SMP00484
Dimethylglycinuria
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
SMP00202
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)
DB00130
L-Glutamine
DB01373
Calcium
DB01592
Iron
DB01593
Zinc
DB02431
Cytidine-5'-Triphosphate
DB02745
Uridine
DB02957
Orotidine-5'-Monophosphate
DB03107
Beta-Alanine
DB03247
Riboflavin Monophosphate
DB03419
Uracil
DB03435
Uridine-5'-Diphosphate
DB03685
Uridine-5'-Monophosphate
DB04485
Deoxythymidine
P27708
Q02127
A8K5J1
Q8WVQ1
Q5EBM0
O75414
Q9UIJ7
Q9BY32
P17812
P49902
Q9Y2T3
O95045
Q12882
Q14117
Q9UBR1
P31350
Q7LG56
Q9NWZ5
P32320
P19971
P32321
P04183
P04818
P33316
SMP00223
Non Ketotic Hyperglycinemia
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
SMP00485
Hyperglycinemia, non-ketotic
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
SMP00046
Pyrimidine Metabolism
DB00130
L-Glutamine
DB01373
Calcium
DB01592
Iron
DB01593
Zinc
DB02431
Cytidine-5'-Triphosphate
DB02745
Uridine
DB02957
Orotidine-5'-Monophosphate
DB03107
Beta-Alanine
DB03247
Riboflavin Monophosphate
DB03419
Uracil
DB03435
Uridine-5'-Diphosphate
DB03685
Uridine-5'-Monophosphate
DB04485
Deoxythymidine
P27708
Q02127
A8K5J1
Q8WVQ1
Q5EBM0
O75414
Q9UIJ7
Q9BY32
P17812
P49902
Q9Y2T3
O95045
Q12882
Q14117
Q9UBR1
P31350
Q7LG56
Q9NWZ5
P32320
P19971
P32321
P04183
P04818
P33316
SMP00244
Sarcosinemia
DB00116
Tetrahydrofolic acid
DB00118
S-Adenosylmethionine
DB00119
Pyruvic acid
DB00133
L-Serine
DB00134
L-Methionine
DB00142
L-Glutamic Acid
DB00145
Glycine
DB00148
Creatine
DB00151
L-Cysteine
DB00160
L-Alanine
DB01593
Zinc
DB02951
3-Hydroxypyruvic Acid
DB02957
Orotidine-5'-Monophosphate
DB04343
Glyoxalate, Glyoxylate
DB04553
2-Oxobutanoic Acid
P21397
P05091
O75600
Q9UI17
Q9UL12
P23378
P48728
P34897
P09622
P21549
P50440
Q14353
P13196
Q93088
Q14749
Q8IVS8
O43175
Q9Y617
P78330
P20132
P49591
P34896
P41250
Q9GZT4
P35520
P32929
"
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All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource appears as object in 26 triples