{"ymdb_id":"YMDB00337","created_at":"2011-05-29T18:07:27.000Z","updated_at":"2016-09-08T18:35:21.000Z","name":"(S)-3-Hydroxyisobutyric acid","cas":"2068-83-9","state":"Solid","melting_point":null,"description":"(S)-3-Hydroxyisobutyric acid (3-HIBA) is an intermediate in the metabolic pathways of L-valine and L-thymine amino acids.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":"Robison, Robert S.; Doremus, Michael G.L-(+)-b-Hydroxyisobutyric acid by fermentation. U.S.  (1986),   5 pp.  ","chebi_id":"37373","hmdb_id":"HMDB00023","kegg_id":"C01188","pubchem_id":"87","cs_id":"389707","foodb_id":null,"wikipedia_link":"3-Hydroxyisobutyric_acid","biocyc_id":"3-HYDROXY-ISOBUTYRATE","iupac":"(2S)-3-hydroxy-2-methylpropanoic acid","traditional_iupac":"(S)-3-hydroxyisobutyric acid","logp":"-0.26059474566666674","pka":"15.518589741896943","alogps_solubility":"5.71e+02 g/l","alogps_logp":"-0.47","alogps_logs":"0.74","acceptor_count":"3","donor_count":"2","rotatable_bond_count":"2","polar_surface_area":"57.53","refractivity":"23.6198","polarizability":"9.981369504774722","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-2.6927927583619056","pka_strongest_acidic":"4.365338407814565","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(S)-3-Hydroxyisobutyric acid","2-methyl-L-(+)-Hydracrylate","2-methyl-L-(+)-Hydracrylic acid","3-hydroxy-2-methyl-(S)-Propanoate","3-hydroxy-2-methyl-(S)-Propanoic acid","3-Hydroxy-2-methylpropanoate","3-Hydroxy-2-methylpropanoic acid","3-hydroxy-isobutyrate","3-Hydroxyisobutyrate","3-Hydroxyisobutyric acid"],"pathways":[],"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."}],"proteins":[{"created_at":"2011-05-24T21:26:49.000Z","updated_at":"2011-05-29T05:06:16.000Z","name":"3-hydroxyisobutyryl-CoA hydrolase, mitochondrial","uniprot_id":"P28817","uniprot_name":"HIBCH_YEAST","enzyme":true,"transporter":false,"gene_name":"EHD3","num_residues":500,"molecular_weight":"56287.89844","theoretical_pi":"8.5","general_function":"Involved in catalytic activity","specific_function":"Hydrolyzes 3-hydroxyisobutyryl-CoA (HIBYL-CoA), a saline catabolite. Has high activity toward isobutyryl-CoA. Could be an isobutyryl-CoA dehydrogenase that functions in valine catabolism. Also hydrolyzes 3-hydroxypropanoyl-CoA. Has an indirect role in endocytic membrane trafficking. May have a function in protein biosynthesis in mitochondrial small ribosomal subunit","reactions":[{"id":2387,"direction":"\u003e","locations":"Mitochondrion","altext":"3-hydroxy-2-methylpropanoyl-CoA + H(2)O = CoA + 3-hydroxy-2-methylpropanoate.","export":false,"pw_reaction_id":null,"source":null},{"id":14164,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006606","source":"Smpdb"},{"id":14165,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006610","source":"Smpdb"},{"id":14166,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006615","source":"Smpdb"},{"id":14167,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006618","source":"Smpdb"},{"id":14168,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006622","source":"Smpdb"},{"id":14169,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006626","source":"Smpdb"},{"id":14170,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006633","source":"Smpdb"},{"id":14171,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006670","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"AY723769","genbank_protein_id":"51830224","gene_card_id":"EHD3","chromosome_location":"chromosome 4","locus":"YDR036C","synonyms":["3-hydroxyisobutyryl-coenzyme A hydrolase","HIB-CoA hydrolase","HIBYL-CoA-H"],"enzyme_classes":["3.1.2.4"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"ECH","identifier":"PF00378"}],"pathways":[{"name":"Valine, leucine and isoleucine degradation","kegg_map_id":"00280"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"},{"name":"Propanoate metabolism","kegg_map_id":"00640"},{"name":"Fatty acid metabolism","kegg_map_id":"00071"}],"gene_sequence":"ATGCTCAGAAATACGCTAAAATGTGCCCAATTGTCGTCTAAATACGGATTTAAAACTACCACACGTACATTCATGACTACTCAACCCCAGCTAAATGTCACCGACGCACCACCTGTGCTATTTACCGTTCAAGATACAGCTAGAGTTATCACGCTAAATAGGCCCAAAAAGCTCAATGCTTTGAACGCCGAAATGTCAGAATCCATGTTCAAGACTTTGAACGAGTATGCAAAGAGCGATACTACAAACTTAGTCATTTTAAAGTCATCCAACCGACCACGTTCGTTCTGTGCTGGTGGTGATGTAGCTACTGTGGCAATATTCAATTTTAACAAAGAATTTGCCAAGTCCATCAAATTTTTTACTGATGAATATTCTTTGAATTTTCAAATAGCAACTTACTTGAAACCAATTGCTACCTTCATGGACGGTATCACCATGGGTGGCGGCGTTGGTCTATCCATTCACACGCCCTTTAGAATTGCTACAGAAAACACCAAATGGGCCATGCCCGAGATGGACATTGGTTTTTTTCCAGATGTAGGCTCAACTTTTGCTCTCCCTAGAATCGTGACATTGGCTAACTCAAACTCACAAATGGCCCTGTATCTATGTCTTACAGGAGAAGTAGTCACAGGAGCAGACGCTTATATGCTCGGCTTAGCGTCTCATTACGTCAGTAGTGAAAATTTAGATGCTTTGCAGAAAAGATTAGGTGAAATTAGCCCCCCTTTTAATAACGATCCACAATCTGCATACTTCTTCGGGATGGTTAACGAATCCATCGACGAATTCGTATCACCATTACCAAAAGATTATGTTTTCAAGTATTCTAACGAGAAATTAAACGTTATTGAAGCCTGTTTTAACTTGTCTAAAAATGGTACTATTGAAGACATAATGAATAACTTACGTCAATATGAAGGTTCTGCGGAAGGTAAGGCTTTCGCACAAGAAATCAAAACGAAATTGTTAACCAAGTCACCATCCTCTCTTCAAATCGCCTTGAGATTGGTGCAAGAGAATTCCAGAGATCACATAGAATCTGCTATCAAAAGAGACTTATACACAGCGGCTAACATGTGCATGAACCAGGACTCTTTGGTGGAATTCTCTGAAGCCACAAAGCATAAACTTATTGATAAACAAAGGGTCCCGTATCCATGGACAAAGAAGGAACAGTTATTTGTATCTCAGTTGACATCTATCACATCTCCTAAACCATCGCTACCAATGTCATTACTAAGAAATACCTCGAATGTTACTTGGACTCAATATCCCTACCATTCTAAATACCAATTGCCTACAGAACAGGAAATCGCTGCGTATATTGAAAAGAGAACGAATGATGACACTGGCGCCAAAGTTACCGAAAGAGAAGTACTAAATCACTTTGCCAATGTGATTCCTTCTAGAAGAGGGAAACTGGGTATCCAATCGCTATGTAAAATTGTTTGTGAAAGAAAATGTGAAGAAGTTAACGATGGCTTAAGATGGAAATAA","protein_sequence":"MLRNTLKCAQLSSKYGFKTTTRTFMTTQPQLNVTDAPPVLFTVQDTARVITLNRPKKLNALNAEMSESMFKTLNEYAKSDTTNLVILKSSNRPRSFCAGGDVATVAIFNFNKEFAKSIKFFTDEYSLNFQIATYLKPIVTFMDGITMGGGVGLSIHTPFRIATENTKWAMPEMDIGFFPDVGSTFALPRIVTLANSNSQMALYLCLTGEVVTGADAYMLGLASHYVSSENLDALQKRLGEISPPFNNDPQSAYFFGMVNESIDEFVSPLPKDYVFKYSNEKLNVIEACFNLSKNGTIEDIMNNLRQYEGSAEGKAFAQEIKTKLLTKSPSSLQIALRLVQENSRDHIESAIKRDLYTAANMCMNQDSLVEFSEATKHKLIDKQRVPYPWTKKEQLFVSQLTSITSPKPSLPMSLLRNTSNVTWTQYPYHSKYQLPTEQEIAAYIEKRTNDDTGAKVTEREVLNHFANVIPSRRGKLGIQSLCKIVCERKCEEVNDGLRWK"}]}