Resource 2-Oxo-4-Methylpentanoic Acid

Predicate	Value (sorted: none)
drugbank:description	" experimental # Martin PM, Gopal E, Ananth S, Zhuang L, Itagaki S, Prasad BM, Smith SB, Prasad PD, Ganapathy V: Identity of SMCT1 (SLC5A8) as a neuron-specific Na+-coupled transporter for active uptake of L-lactate and ketone bodies in the brain. J Neurochem. 2006 Jul;98(1):279-88. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/16805814 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 Polyamines Enolates Carboxylic Acids Keto Acids and Derivatives ketone enolate polyamine carboxylic acid carboxylic acid derivative carbonyl group logP 0.82 ALOGPS logS -1.3 ALOGPS Water Solubility 6.76e+00 g/l ALOGPS logP 1.5 ChemAxon IUPAC Name 4-methyl-2-oxopentanoic acid ChemAxon Traditional IUPAC Name Î±-ketoisocaproic acid ChemAxon Molecular Weight 130.1418 ChemAxon Monoisotopic Weight 130.062994186 ChemAxon SMILES CC(C)CC(=O)C(O)=O ChemAxon Molecular Formula C6H10O3 ChemAxon InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) ChemAxon InChIKey InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 54.37 ChemAxon Refractivity 31.77 ChemAxon Polarizability 13 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 3.53 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 48430 PubChem Compound 70 PubChem Substance 46506016 PDB COI SMP00137 2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00138 3-Hydroxy-3-Methylglutaryl-CoA Lyase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00522 3-hydroxyisobutyric aciduria DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00141 3-Methylglutaconic Aciduria Type IV DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00139 3-Methylglutaconic Aciduria Type I DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00521 3-hydroxyisobutyric acid dehydrogenase deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00237 3-Methylcrotonyl Coa Carboxylase Deficiency Type I DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00140 3-Methylglutaconic Aciduria Type III DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00236 Propionic Acidemia DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00524 Isovaleric acidemia DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00200 Methylmalonic Aciduria DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00238 Isovaleric Aciduria DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00032 Valine, Leucine and Isoleucine Degradation DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00173 Beta-Ketothiolase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00523 Isobutyryl-coa dehydrogenase deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00384 Methylmalonate Semialdehyde Dehydrogenase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00199 Maple Syrup Urine Disease DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 BE0001833 Deacetoxycephalosporin C synthase Streptomyces clavuligerus (strain ATCC 27064 / DSM 738 / JCM 4710 / NBRC 13307 / NCIMB 12785 / NRRL 3585 / VKM Ac-602) # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Deacetoxycephalosporin C synthase Involved in iron ion binding Catalyzes the step from penicillin N to deacetoxy- cephalosporin C cefE None 4.94 34556.0 Streptomyces clavuligerus (strain ATCC 27064 / DSM 738 / JCM 4710 / NBRC 13307 / NCIMB 12785 / NRRL 3585 / VKM Ac-602) GenBank Gene Database M32324 GenBank Protein Database 153205 UniProtKB P18548 UniProt Accession CEFE_STRC2 DAOCS EC 1.14.20.1 Expandase >Deacetoxycephalosporin C synthetase MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDLVIDFFEHGSE AEKRAVTSPVPTMRRGFTGLESESTAQITNTGSYSDYSMCYSMGTADNLFPSGDFERIWT QYFDRQYTASRAVAREVLRATGTEPDGGVEAFLDCEPLLRFRYFPQVPEHRSAEEQPLRM APHYDLSMVTLIQQTPCANGFVSLQAEVGGAFTDLPYRPDAVLVFCGAIATLVTGGQVKA PRHHVAAPRRDQIAGSSRTSSVFFLRPNADFTFSVPLARECGFDVSLDGETATFQDWIGG NYVNIRRTSKA >936 bp ATGGACACGACGGTGCCCACCTTCAGCCTGGCCGAACTCCAGCAGGGCCTGCACCAGGAC GAGTTCCGCAGGTGTCTGAGGGACAAGGGCCTCTTCTATCTGACGGACTGCGGTCTGACC GACACCGAGCTGAAGTCGGCCAAGGACCTCGTCATCGACTTCTTCGAGCACGGCAGCGAG GCGGAGAAGCGCGCCGTCACCTCGCCCGTCCCCACCATGCGCCGCGGCTTCACCGGGCTG GAGTCGGAGAGCACCGCCCAGATCACCAATACCGGCAGCTACTCCGACTACTCGATGTGC TACTCGATGGGCACCGCGGACAACCTCTTCCCGTCCGGTGACTTCGAGCGGATCTGGACC CAGTACTTCGACCGCCAGTACACCGCCTCCCGCGCGGTCGCCCGGGAGGTCCTGCGGGCG ACCGGGACCGAGCCCGACGGCGGGGTCGAGGCCTTCCTCGACTGCGAGCCGCTGCTGCGG TTCCGCTACTTCCCGCAGGTCCCCGAGCACCGCAGCGCCGAGGAGCAGCCCCTGCGGATG GCGCCGCACTACGACCTGTCGATGGTCACCCTCATCCAGCAGACACCCTGCGCCAACGGC TTCGTCAGCCTCCAGGCCGAGGTCGGCGGCGCGTTCACGGACCTGCCCTACCGTCCGGAC GCCGTCCTCGTCTTCTGCGGCGCCATCGCGACCCTGGTGACCGGCGGCCAGGTCAAGGCC CCCCGGCACCATGTCGCGGCCCCCCGCAGGGACCAGATAGCGGGCAGCAGCCGCACCTCC AGTGTGTTCTTCCTCCGTCCCAACGCGGACTTCACCTTCTCCGTCCCGCTGGCGCGCGAG TGCGGCTTCGATGTCAGCCTGGACGGCGAGACCGCCACGTTCCAGGATTGGATCGGGGGC AACTACGTGAACATCCGCCGCACATCCAAGGCATAG PF03171 2OG-FeII_Oxy function cation binding function transition metal ion binding function iron ion binding function binding function catalytic activity function oxidoreductase activity function ion binding process biosynthesis process physiological process process metabolism BE0001866 D-2-hydroxyisocaproate dehydrogenase Lactobacillus paracasei # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown D-2-hydroxyisocaproate dehydrogenase Energy production and conversion Catalyzes the NAD dependent reversible, stereospecific interconversion between 2-ketocarboxylic acids and D-2-hydroxy- carboxylic acids None 5.05 36893.0 Lactobacillus paracasei GenBank Gene Database M26929 GenBank Protein Database 149538 UniProtKB P17584 UniProt Accession DHD2_LACPA D-HICDH EC 1.1.1.- >D-2-hydroxyisocaproate dehydrogenase MKIIAYGARVDEIQYFKQWAKDTGNTLEYHTEFLDENTVEWAKGFDGINSLQTTPYAAGV FEKMHAYGIKFLTIRNVGTDNIDMTAMKQYGIRLSNVPAYSPAAIAEFALTDTLYLLRNM GKVQAQLQAGDYEKAGTFIGKELGQQTVGVMGTGHIGQVAIKLFKGFGAKVIAYDPYPMK GDHPDFDYVSLEDLFKQSDVIDLHVPGIEQNTHIINEAAFNLMKPGAIVINTARPNLIDT QAMLSNLKSGKLAGVGIDTYEYETEDLLNLAKHGSFKDPLWDELLGMPNVVLSPHIAYYT ETAVHNMVYFSLQHLVDFLTKGETSTEVTGPAK >1008 bp ATGAAGATTATTGCTTACGGTGCTCGCGTTGACGAGATTCAATATTTCAAGCAATGGGCC AAGGATACAGGCAACACACTTGAATACCATACAGAATTTCTCGATGAAAACACCGTTGAA TGGGCTAAAGGGTTTGATGGCATCAATTCATTGCAGACAACGCCATATGCAGCCGGCGTT TTTGAAAAAATGCACGCGTATGGTATCAAGTTCTTGACGATTCGGAATGTGGGTACGGAT AACATTGATATGACTGCCATGAAGCAATACGGCATTCGTTTGAGCAATGTACCGGCTTAT TCGCCAGCAGCGATTGCTGAATTTGCTTTGACCGATACTTTGTACTTGCTACGTAATATG GGTAAAGTACAGGCGCAACTACAGGCGGGCGATTATGAAAAAGCGGGCACCTTCATCGGT AAGGAACTCGGTCAGCAAACCGTTGGCGTGATGGGCACCGGTCATATTGGACAGGTTGCT ATCAAACTGTTCAAAGGCTTTGGCGCCAAAGTGATTGCTTACGATCCTTATCCAATGAAG GGCGATCACCCAGATTTTGACTATGTCAGCCTTGAAGACCTCTTTAAGCAAAGTGATGTC ATTGATCTTCATGTTCCTGGGATTGAACAAAATACCCACATTATCAATGAAGCGGCATTT AATTTGATGAAACCGGGTGCGATTGTGATCAACACGGCTCGGCCAAATCTGATTGACACG CAAGCCATGCTCAGCAATCTTAAGTCTGGCAAGTTGGCCGGTGTCGGGATTGACACCTAT GAATACGAAACCGAGGACTTGTTGAATCTCGCCAAGCACGGCAGCTTCAAGGATCCGTTG TGGGACGAGCTGTTGGGGATGCCAAATGTTGTCCTCAGCCCGCACATTGCCTACTACACC GAGACGGCTGTGCATAATATGGTTTACTTCTCACTACAACATCTCGTTGATTTCTTGACC AAATTCAAACCAGCACGGAAGTTACTGGTCCAGCAAGTAGTCAACTGA PF00389 2-Hacid_dh PF02826 2-Hacid_dh_C function catalytic activity function NAD binding function oxidoreductase activity function cofactor binding function coenzyme binding function binding function oxidoreductase activity, acting on CH-OH group of donors function oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor process metabolism process L-serine metabolism process cellular metabolism process L-serine biosynthesis process amino acid metabolism process amino acid and derivative metabolism process serine family amino acid metabolism process physiological process "
owl:sameAs	drug:2-Oxo-4-Methylpentanoic Acid
owl:sameAs	drug:Pyridoxal
owl:sameAs	drug:Alpha-ketoisovalerate
rdf:type	drugbank:drugs
owl:sameAs	drug:Succinic acid
owl:sameAs	drug:EXPT00985
owl:sameAs	drug:L-Valine
owl:sameAs	drug:L-Isoleucine
owl:sameAs	drug:Biotin
rdfs:label	"2-Oxo-4-Methylpentanoic Acid"
owl:sameAs	drug:L-Glutamic Acid

drugbank:description

" experimental # Martin PM, Gopal E, Ananth S, Zhuang L, Itagaki S, Prasad BM, Smith SB, Prasad PD, Ganapathy V: Identity of SMCT1 (SLC5A8) as a neuron-specific Na+-coupled transporter for active uptake of L-lactate and ketone bodies in the brain. J Neurochem. 2006 Jul;98(1):279-88. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/16805814 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 Polyamines Enolates Carboxylic Acids Keto Acids and Derivatives ketone enolate polyamine carboxylic acid carboxylic acid derivative carbonyl group logP 0.82 ALOGPS logS -1.3 ALOGPS Water Solubility 6.76e+00 g/l ALOGPS logP 1.5 ChemAxon IUPAC Name 4-methyl-2-oxopentanoic acid ChemAxon Traditional IUPAC Name Î±-ketoisocaproic acid ChemAxon Molecular Weight 130.1418 ChemAxon Monoisotopic Weight 130.062994186 ChemAxon SMILES CC(C)CC(=O)C(O)=O ChemAxon Molecular Formula C6H10O3 ChemAxon InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) ChemAxon InChIKey InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 54.37 ChemAxon Refractivity 31.77 ChemAxon Polarizability 13 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 3.53 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 48430 PubChem Compound 70 PubChem Substance 46506016 PDB COI SMP00137 2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00138 3-Hydroxy-3-Methylglutaryl-CoA Lyase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00522 3-hydroxyisobutyric aciduria DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00141 3-Methylglutaconic Aciduria Type IV DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00139 3-Methylglutaconic Aciduria Type I DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00521 3-hydroxyisobutyric acid dehydrogenase deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00237 3-Methylcrotonyl Coa Carboxylase Deficiency Type I DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00140 3-Methylglutaconic Aciduria Type III DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00236 Propionic Acidemia DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00524 Isovaleric acidemia DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00200 Methylmalonic Aciduria DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00238 Isovaleric Aciduria DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00032 Valine, Leucine and Isoleucine Degradation DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00173 Beta-Ketothiolase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00523 Isobutyryl-coa dehydrogenase deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00384 Methylmalonate Semialdehyde Dehydrogenase Deficiency DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 SMP00199 Maple Syrup Urine Disease DB00121 Biotin DB00139 Succinic acid DB00142 L-Glutamic Acid DB00147 Pyridoxal DB00161 L-Valine DB00167 L-Isoleucine DB03229 2-Oxo-4-Methylpentanoic Acid DB04074 Alpha-ketoisovalerate P21953 P12694 P09622 P35914 P54687 P11182 P26440 P11310 P30084 Q96RQ3 Q9HCC0 P16219 P45954 Q9UKU7 Q6NVY1 P31937 P80404 Q99714 P42765 Q02252 P05165 P05166 Q96PE7 P22033 Q06278 P05091 Q13825 P54868 P24752 P55809 BE0001833 Deacetoxycephalosporin C synthase Streptomyces clavuligerus (strain ATCC 27064 / DSM 738 / JCM 4710 / NBRC 13307 / NCIMB 12785 / NRRL 3585 / VKM Ac-602) # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Deacetoxycephalosporin C synthase Involved in iron ion binding Catalyzes the step from penicillin N to deacetoxy- cephalosporin C cefE None 4.94 34556.0 Streptomyces clavuligerus (strain ATCC 27064 / DSM 738 / JCM 4710 / NBRC 13307 / NCIMB 12785 / NRRL 3585 / VKM Ac-602) GenBank Gene Database M32324 GenBank Protein Database 153205 UniProtKB P18548 UniProt Accession CEFE_STRC2 DAOCS EC 1.14.20.1 Expandase >Deacetoxycephalosporin C synthetase MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDLVIDFFEHGSE AEKRAVTSPVPTMRRGFTGLESESTAQITNTGSYSDYSMCYSMGTADNLFPSGDFERIWT QYFDRQYTASRAVAREVLRATGTEPDGGVEAFLDCEPLLRFRYFPQVPEHRSAEEQPLRM APHYDLSMVTLIQQTPCANGFVSLQAEVGGAFTDLPYRPDAVLVFCGAIATLVTGGQVKA PRHHVAAPRRDQIAGSSRTSSVFFLRPNADFTFSVPLARECGFDVSLDGETATFQDWIGG NYVNIRRTSKA >936 bp ATGGACACGACGGTGCCCACCTTCAGCCTGGCCGAACTCCAGCAGGGCCTGCACCAGGAC GAGTTCCGCAGGTGTCTGAGGGACAAGGGCCTCTTCTATCTGACGGACTGCGGTCTGACC GACACCGAGCTGAAGTCGGCCAAGGACCTCGTCATCGACTTCTTCGAGCACGGCAGCGAG GCGGAGAAGCGCGCCGTCACCTCGCCCGTCCCCACCATGCGCCGCGGCTTCACCGGGCTG GAGTCGGAGAGCACCGCCCAGATCACCAATACCGGCAGCTACTCCGACTACTCGATGTGC TACTCGATGGGCACCGCGGACAACCTCTTCCCGTCCGGTGACTTCGAGCGGATCTGGACC CAGTACTTCGACCGCCAGTACACCGCCTCCCGCGCGGTCGCCCGGGAGGTCCTGCGGGCG ACCGGGACCGAGCCCGACGGCGGGGTCGAGGCCTTCCTCGACTGCGAGCCGCTGCTGCGG TTCCGCTACTTCCCGCAGGTCCCCGAGCACCGCAGCGCCGAGGAGCAGCCCCTGCGGATG GCGCCGCACTACGACCTGTCGATGGTCACCCTCATCCAGCAGACACCCTGCGCCAACGGC TTCGTCAGCCTCCAGGCCGAGGTCGGCGGCGCGTTCACGGACCTGCCCTACCGTCCGGAC GCCGTCCTCGTCTTCTGCGGCGCCATCGCGACCCTGGTGACCGGCGGCCAGGTCAAGGCC CCCCGGCACCATGTCGCGGCCCCCCGCAGGGACCAGATAGCGGGCAGCAGCCGCACCTCC AGTGTGTTCTTCCTCCGTCCCAACGCGGACTTCACCTTCTCCGTCCCGCTGGCGCGCGAG TGCGGCTTCGATGTCAGCCTGGACGGCGAGACCGCCACGTTCCAGGATTGGATCGGGGGC AACTACGTGAACATCCGCCGCACATCCAAGGCATAG PF03171 2OG-FeII_Oxy function cation binding function transition metal ion binding function iron ion binding function binding function catalytic activity function oxidoreductase activity function ion binding process biosynthesis process physiological process process metabolism BE0001866 D-2-hydroxyisocaproate dehydrogenase Lactobacillus paracasei # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown D-2-hydroxyisocaproate dehydrogenase Energy production and conversion Catalyzes the NAD dependent reversible, stereospecific interconversion between 2-ketocarboxylic acids and D-2-hydroxy- carboxylic acids None 5.05 36893.0 Lactobacillus paracasei GenBank Gene Database M26929 GenBank Protein Database 149538 UniProtKB P17584 UniProt Accession DHD2_LACPA D-HICDH EC 1.1.1.- >D-2-hydroxyisocaproate dehydrogenase MKIIAYGARVDEIQYFKQWAKDTGNTLEYHTEFLDENTVEWAKGFDGINSLQTTPYAAGV FEKMHAYGIKFLTIRNVGTDNIDMTAMKQYGIRLSNVPAYSPAAIAEFALTDTLYLLRNM GKVQAQLQAGDYEKAGTFIGKELGQQTVGVMGTGHIGQVAIKLFKGFGAKVIAYDPYPMK GDHPDFDYVSLEDLFKQSDVIDLHVPGIEQNTHIINEAAFNLMKPGAIVINTARPNLIDT QAMLSNLKSGKLAGVGIDTYEYETEDLLNLAKHGSFKDPLWDELLGMPNVVLSPHIAYYT ETAVHNMVYFSLQHLVDFLTKGETSTEVTGPAK >1008 bp ATGAAGATTATTGCTTACGGTGCTCGCGTTGACGAGATTCAATATTTCAAGCAATGGGCC AAGGATACAGGCAACACACTTGAATACCATACAGAATTTCTCGATGAAAACACCGTTGAA TGGGCTAAAGGGTTTGATGGCATCAATTCATTGCAGACAACGCCATATGCAGCCGGCGTT TTTGAAAAAATGCACGCGTATGGTATCAAGTTCTTGACGATTCGGAATGTGGGTACGGAT AACATTGATATGACTGCCATGAAGCAATACGGCATTCGTTTGAGCAATGTACCGGCTTAT TCGCCAGCAGCGATTGCTGAATTTGCTTTGACCGATACTTTGTACTTGCTACGTAATATG GGTAAAGTACAGGCGCAACTACAGGCGGGCGATTATGAAAAAGCGGGCACCTTCATCGGT AAGGAACTCGGTCAGCAAACCGTTGGCGTGATGGGCACCGGTCATATTGGACAGGTTGCT ATCAAACTGTTCAAAGGCTTTGGCGCCAAAGTGATTGCTTACGATCCTTATCCAATGAAG GGCGATCACCCAGATTTTGACTATGTCAGCCTTGAAGACCTCTTTAAGCAAAGTGATGTC ATTGATCTTCATGTTCCTGGGATTGAACAAAATACCCACATTATCAATGAAGCGGCATTT AATTTGATGAAACCGGGTGCGATTGTGATCAACACGGCTCGGCCAAATCTGATTGACACG CAAGCCATGCTCAGCAATCTTAAGTCTGGCAAGTTGGCCGGTGTCGGGATTGACACCTAT GAATACGAAACCGAGGACTTGTTGAATCTCGCCAAGCACGGCAGCTTCAAGGATCCGTTG TGGGACGAGCTGTTGGGGATGCCAAATGTTGTCCTCAGCCCGCACATTGCCTACTACACC GAGACGGCTGTGCATAATATGGTTTACTTCTCACTACAACATCTCGTTGATTTCTTGACC AAATTCAAACCAGCACGGAAGTTACTGGTCCAGCAAGTAGTCAACTGA PF00389 2-Hacid_dh PF02826 2-Hacid_dh_C function catalytic activity function NAD binding function oxidoreductase activity function cofactor binding function coenzyme binding function binding function oxidoreductase activity, acting on CH-OH group of donors function oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor process metabolism process L-serine metabolism process cellular metabolism process L-serine biosynthesis process amino acid metabolism process amino acid and derivative metabolism process serine family amino acid metabolism process physiological process "

owl:sameAs

"2-Oxo-4-Methylpentanoic Acid"

Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03229"

Context graph