Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02238"

Predicate	Value (sorted: default)
rdfs:label	"4-(Methylsulfanyl)-2-Oxobutanoic Acid"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Alpha Keto-Acids and Derivatives Organic Compounds Organic Acids and Derivatives Keto-Acids and Derivatives Alpha Keto-Acids and Derivatives Ketones Thioethers Polyamines Enolates Carboxylic Acids Keto Acids and Derivatives ketone enolate polyamine thioether carboxylic acid carboxylic acid derivative carbonyl group logP -0.07 ALOGPS logS -1.3 ALOGPS Water Solubility 7.44e+00 g/l ALOGPS logP 1.12 ChemAxon IUPAC Name 4-(methylsulfanyl)-2-oxobutanoic acid ChemAxon Traditional IUPAC Name 4-(methylsulfanyl)-2-oxobutanoic acid ChemAxon Molecular Weight 148.18 ChemAxon Monoisotopic Weight 148.019414812 ChemAxon SMILES CSCCC(=O)C(O)=O ChemAxon Molecular Formula C5H8O3S ChemAxon InChI InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8) ChemAxon InChIKey InChIKey=SXFSQZDSUWACKX-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 54.37 ChemAxon Refractivity 35.07 ChemAxon Polarizability 14.21 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 3.3 ChemAxon pKa (strongest basic) -9.7 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 33574 PubChem Compound 473 PubChem Substance 46507979 KEGG Compound C01180 ChemSpider 460 PDB KMT SMP00214 S-Adenosylhomocysteine (SAH) Hydrolase Deficiency DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 SMP00221 Methionine Adenosyltransferase Deficiency DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 SMP00570 Homocystinuria-megaloblastic anemia due to defect in cobalamin metabolism, cblG complementation type DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 SMP00177 Cystathionine Beta-Synthase Deficiency DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 SMP00340 Methylenetetrahydrofolate Reductase Deficiency (MTHFRD) DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 SMP00222 Glycine N-methyltransferase Deficiency DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 SMP00341 Hypermethioninemia DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 SMP00033 Methionine Metabolism DB00116 Tetrahydrofolic acid DB00118 S-Adenosylmethionine DB00133 L-Serine DB00134 L-Methionine DB00145 Glycine DB00151 L-Cysteine DB00640 Adenosine DB01345 Potassium DB01593 Zinc DB01917 Putrescine DB02238 4-(Methylsulfanyl)-2-Oxobutanoic Acid DB03566 Spermidine DB04193 L-Homoserine DB04553 2-Oxobutanoic Acid P34896 P42898 Q99707 P32929 P35520 Q93088 P26358 P17707 P19623 Q13126 P23526 Q96RQ9 P56192 Q96DP5 P31153 Q9NZL9 Q8NE62 Q8IXL7 Q9Y3D2 BE0002692 Aminotransferase Thermus thermophilus unknown Aminotransferase Involved in transferase activity, transferring nitrogenous groups None 5.94 42271.0 Thermus thermophilus GenBank Gene Database AB121092 UniProtKB Q75WK2 UniProt Accession Q75WK2_THETH >Aminotransferase MRLHPRTEAAKESIFPRMSGLAQRLGAVNLGQGFPSNPPPPFLLEAVRRALGRQDQYAPP AGLPALREALAEEFAVEPESVVVTSGATEALYVLLQSLVGPGDEVVVLEPFFDVYLPDAF LAGAKARLVRLDLTPEGFRLDLSALEKALTPRTRALLLNTPMNPTGLVFGERELEAIARL ARAHDLFLISDEVYDELYYGERPRRLREFAPERTFTVGSAGKRLEATGYRVGWIVGPKEF MPRLAGMRQWTSFSAPTPLQAGVAEALKLARREGFYEALREGYRRRRDLLAGGLRAMGLR VYVPEGTYFLMAELPGWDAFRLVEEARVALIPASAFYLEDPPKDLFRFAFCKTEEELHLA LERLGRVVNSPREAEGGAVSG >1146 bp ATGCGCCTCCACCCCCGCACCGAGGCGGCCAAGGAGAGCATCTTCCCCAGGATGAGCGGG CTCGCCCAGCGCCTGGGCGCGGTGAACCTGGGCCAGGGGTTTCCCTCTAATCCCCCGCCT CCCTTCCTCCTGGAGGCGGTGCGGCGCGCCTTGGGCCGCCAGGATCAGTACGCCCCCCCG GCGGGGCTTCCCGCCCTTAGGGAGGCCCTTGCCGAAGAGTTCGCCGTGGAGCCCGAAAGC GTGGTGGTCACCTCCGGGGCCACGGAGGCCCTCTACGTCCTCCTGCAAAGCCTCGTGGGC CCGGGGGACGAGGTAGTGGTGCTGGAGCCTTTCTTTGACGTCTACCTGCCGGACGCCTTC CTGGCGGGGGCCAAGGCCAGGCTTGTGCGCTTAGACCTCACCCCTGAGGGCTTCCGCCTG GACCTTTCCGCCCTGGAGAAGGCCCTCACCCCAAGGACCCGGGCCCTCCTCCTCAACACC CCCATGAACCCCACGGGCCTCGTCTTCGGGGAGAGGGAGCTAGAGGCCATCGCCCGCCTC GCAAGGGCGCACGACCTCTTCCTCATATCCGACGAGGTCTACGACGAGCTCTACTACGGG GAGAGGCCAAGGCGCCTTAGGGAGTTCGCCCCGGAGCGCACCTTCACCGTGGGGAGCGCA GGGAAGCGCCTCGAGGCCACGGGCTACCGGGTGGGCTGGATCGTGGGGCCCAAGGAGTTC ATGCCCCGCCTCGCGGGGATGCGCCAGTGGACGAGCTTCTCCGCCCCCACGCCCCTCCAG GCCGGGGTGGCGGAGGCCCTGAAGCTGGCGAGGAGAGAGGGGTTCTACGAGGCCCTGCGG GAAGGCTACCGGAGGAGGCGGGACCTCCTCGCCGGGGGGCTTAGGGCGATGGGGCTTAGG GTCTACGTCCCCGAGGGCACCTACTTCCTCATGGCCGAGCTTCCCGGGTGGGACGCCTTC CGGCTCGTGGAGGAGGCGCGGGTGGCCCTCATCCCCGCCTCGGCCTTCTACCTTGAAGAC CCTCCCAAGGACCTCTTCCGCTTCGCCTTCTGCAAGACTGAGGAGGAGCTTCACCTCGCC CTGGAGCGCCTGGGGCGTGTGGTAAACTCCCCCCGTGAAGCCGAAGGTGGTGCGGTATCT GGATGA PF00155 Aminotran_1_2 function transferase activity function transferase activity, transferring nitrogenous groups function catalytic activity process metabolism process biosynthesis process physiological process "
owl:sameAs	drug:Tetrahydrofolic acid drug:S-Adenosylmethionine drug:L-Serine drug:L-Methionine drug:Glycine drug:L-Cysteine drug:Adenosine drug:Potassium drug:Zinc drug:Putrescine drug:4-(Methylsulfanyl)-2-Oxobutanoic Acid drug:Spermidine drug:L-Homoserine drug:2-Oxobutanoic Acid drug:EXPT01977

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

The resource appears as object in 14 triples

Context graph