{"ymdb_id":"YMDB00093","created_at":"2011-05-29T15:56:02.000Z","updated_at":"2016-09-08T18:35:00.000Z","name":"2-Dehydropantoic acid","cas":null,"state":null,"melting_point":null,"description":"2-Dehydropantoic acid is an intermediate in pantothenate and coenzyme A biosynthesis. [BioCyc PANTOSYN2-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm;Mitochondrion","synthesis_reference":null,"chebi_id":"17094","hmdb_id":null,"kegg_id":"C00966","pubchem_id":"38","cs_id":"37","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-hydroxy-3,3-dimethyl-2-oxobutanoic acid","traditional_iupac":"ketopantoic acid","logp":"0.5846392240000005","pka":"14.980989916536032","alogps_solubility":"1.09e+02 g/l","alogps_logp":"-0.35","alogps_logs":"-0.13","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"74.6","refractivity":"33.4668","polarizability":"13.833096792405735","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-2.820508568337858","pka_strongest_acidic":"3.245393682919492","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Dehydropantoate","ketopantoic acid"],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."}],"proteins":[{"created_at":"2011-05-24T21:09:37.000Z","updated_at":"2011-07-22T17:53:52.000Z","name":"Ketol-acid reductoisomerase, mitochondrial","uniprot_id":"P06168","uniprot_name":"ILV5_YEAST","enzyme":true,"transporter":false,"gene_name":"ILV5","num_residues":395,"molecular_weight":"44368.10156","theoretical_pi":"9.42","general_function":"Involved in oxidoreductase activity","specific_function":"(R)-2,3-dihydroxy-3-methylbutanoate + NADP(+) = (S)-2-hydroxy-2-methyl-3-oxobutanoate + 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ketol-acid reductoisomerase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" cellular amino acid biosynthetic process"},{"category":"Process","description":" branched chain family amino acid biosynthetic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"IlvC","identifier":"PF01450"},{"name":"IlvN","identifier":"PF07991"}],"pathways":[{"name":"Valine, leucine and isoleucine biosynthesis","kegg_map_id":"00290"},{"name":"Pantothenate and CoA 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hydroxymethyltransferase","uniprot_id":"P38122","uniprot_name":"PANB_YEAST","enzyme":true,"transporter":false,"gene_name":"ECM31","num_residues":312,"molecular_weight":"34464.69922","theoretical_pi":"8.26","general_function":"Involved in 3-methyl-2-oxobutanoate hydroxymethyltransferase activity","specific_function":"5,10-methylenetetrahydrofolate + 3-methyl-2- oxobutanoate + H(2)O = tetrahydrofolate + 2-dehydropantoate","reactions":[{"id":1185,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2526,"direction":"\u003e","locations":null,"altext":"5,10-methylenetetrahydrofolate + 3-methyl-2-oxobutanoate + H(2)O = tetrahydrofolate + 2-dehydropantoate.","export":false,"pw_reaction_id":null,"source":null},{"id":14215,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006654","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z36045","genbank_protein_id":"536525","gene_card_id":"ECM31","chromosome_location":"chromosome 2","locus":"YBR176W","synonyms":["Extracellular matrix protein 31","Ketopantoate hydroxymethyltransferase"],"enzyme_classes":["2.1.2.11"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring one-carbon groups"},{"category":"Function","description":" methyltransferase activity"},{"category":"Function","description":" glycine hydroxymethyltransferase activity"},{"category":"Function","description":" hydroxymethyl-, formyl- and related transferase activity"},{"category":"Function","description":" 3-methyl-2-oxobutanoate hydroxymethyltransferase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" pantothenate biosynthetic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Pantoate_transf","identifier":"PF02548"}],"pathways":[{"name":"Pantothenate and CoA 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2-reductase","uniprot_id":"P38787","uniprot_name":"PANE_YEAST","enzyme":true,"transporter":false,"gene_name":"PAN5","num_residues":379,"molecular_weight":"42820.89844","theoretical_pi":"6.62","general_function":"Involved in oxidoreductase activity","specific_function":"Catalyzes the NADPH-dependent reduction of ketopantoate into pantoic acid","reactions":[{"id":1142,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2839,"direction":"\u003e","locations":null,"altext":"(R)-pantoate + NADP(+) = 2-dehydropantoate + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":14216,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006655","source":"Smpdb"},{"id":14217,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006763","source":"Smpdb"},{"id":14218,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006771","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"PAN5","chromosome_location":"chromosome 8","locus":"YHR063C","synonyms":["Ketopantoate reductase","KPA reductase","KPR"],"enzyme_classes":["1.1.1.169"],"go_classes":[{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Component","description":" cell part"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" NADP or NADPH binding"},{"category":"Function","description":" coenzyme binding"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" pantothenate biosynthetic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"ApbA","identifier":"PF02558"},{"name":"ApbA_C","identifier":"PF08546"}],"pathways":[{"name":"Pantothenate and CoA 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