{"ymdb_id":"YMDB16143","created_at":"2016-09-12T18:15:03.000Z","updated_at":"2016-10-17T22:34:41.000Z","name":"Crotonoyl-CoA","cas":null,"state":"Solid","melting_point":null,"description":null,"experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid","traditional_iupac":"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-({[(3-{[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxyphosphonic acid","logp":"-5.598949534966354","pka":"2.6787711798581504","alogps_solubility":"3.67e+00 g/l","alogps_logp":"-0.11","alogps_logs":"-2.36","acceptor_count":"17","donor_count":"9","rotatable_bond_count":"21","polar_surface_area":"363.6299999999999","refractivity":"182.5292","polarizability":"73.18784114799007","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"4.946047024039826","pka_strongest_acidic":"0.8252479627216065","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[{"name":"Fatty acid metabolism","kegg_map_id":"00071"}],"growth_conditions":[],"references":[],"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"}]}