{"ymdb_id":"YMDB00376","created_at":"2011-05-29T18:10:55.000Z","updated_at":"2016-09-08T18:35:25.000Z","name":"(R)-Pantoic acid","cas":"470-29-1","state":null,"melting_point":null,"description":"(R)-Pantoic acid is an intermediate in the phosphopantothenate biosynthesis pathway for the de novo synthesis of R-pantothenate (vitamin B5) from valine in plants and microorganisms. [Biocyc PANTO-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"18697","hmdb_id":null,"kegg_id":"C00522","pubchem_id":"439251","cs_id":"388387","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid","traditional_iupac":"(R)-pantoic acid","logp":"-0.48710460333333305","pka":"13.75748740826327","alogps_solubility":"3.08e+02 g/l","alogps_logp":"-0.59","alogps_logs":"0.32","acceptor_count":"4","donor_count":"3","rotatable_bond_count":"3","polar_surface_area":"77.76","refractivity":"34.008199999999995","polarizability":"14.359601053217895","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-2.7868824038873443","pka_strongest_acidic":"3.963302291289117","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(R)-Pantoate","Pantoate","Pantoic acid"],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"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 + NADPH","reactions":[{"id":1142,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1229,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1682,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2362,"direction":"\u003e","locations":"Mitochondrion","altext":"(R)-2,3-dihydroxy-3-methylbutanoate + NADP(+) = (S)-2-hydroxy-2-methyl-3-oxobutanoate + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":2363,"direction":"\u003e","locations":"Mitochondrion","altext":"(2R,3R)-2,3-dihydroxy-3-methylpentanoate + NADP(+) = (S)-2-hydroxy-2-ethyl-3-oxobutanoate + NADPH.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"U19102","genbank_protein_id":"609403","gene_card_id":"ILV5","chromosome_location":"chromosome 12","locus":"YLR355C","synonyms":["Acetohydroxy-acid reductoisomerase","Alpha-keto-beta-hydroxylacil reductoisomerase"],"enzyme_classes":["1.1.1.86"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" oxidoreductase activity, acting on CH-OH group of donors"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" coenzyme binding"},{"category":"Function","description":" ketol-acid reductoisomerase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"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"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid 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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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":" cell part"},{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"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":"Function","description":" binding"},{"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"},{"category":"Process","description":" cellular metabolic process"}],"pfams":[{"name":"ApbA","identifier":"PF02558"},{"name":"ApbA_C","identifier":"PF08546"}],"pathways":[{"name":"Pantothenate and CoA 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ligase","uniprot_id":"P40459","uniprot_name":"PANC_YEAST","enzyme":true,"transporter":false,"gene_name":"PAN6","num_residues":309,"molecular_weight":"35031.89844","theoretical_pi":"5.08","general_function":"Involved in pantoate-beta-alanine ligase activity","specific_function":"Required for pantothenic acid biosynthesis","reactions":[{"id":1831,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2841,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate.","export":false,"pw_reaction_id":null,"source":null},{"id":3765,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006288","source":"Smpdb"},{"id":14219,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006656","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. 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