{"ymdb_id":"YMDB00333","created_at":"2011-05-29T18:07:08.000Z","updated_at":"2016-09-08T18:35:21.000Z","name":"maleylacetic acid","cas":"24740-88-3","state":null,"melting_point":null,"description":"Maleylacetic acid is an intermediate in chlorinated compounds degradation.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"1184","hmdb_id":null,"kegg_id":"C02222","pubchem_id":"5280500","cs_id":"4444140","foodb_id":null,"wikipedia_link":"Maleylacetic_acid","biocyc_id":null,"iupac":"(2Z)-4-oxohex-2-enedioic acid","traditional_iupac":"maleylacetic acid","logp":"0.1809396373333333","pka":"3.852909078950445","alogps_solubility":"7.25e+00 g/l","alogps_logp":"-0.06","alogps_logs":"-1.34","acceptor_count":"5","donor_count":"2","rotatable_bond_count":"4","polar_surface_area":"91.67","refractivity":"34.5022","polarizability":"13.163660048682335","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-7.230072909210429","pka_strongest_acidic":"2.7117673431117693","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(Z)-4-oxo-2-hexenedioic acid","2-Maleylacetate","4-Oxohex-2-enedioate","Maleylacetate"],"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":"2011-05-27T02:51:52.000Z","updated_at":"2011-05-27T02:51:52.000Z","name":"Putative carboxymethylenebutenolidase","uniprot_id":"Q07505","uniprot_name":"DLHH_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":273,"molecular_weight":"30836.90039","theoretical_pi":"6.3","general_function":"Involved in hydrolase activity","specific_function":"4-carboxymethylenebut-2-en-4-olide + H(2)O = 4-oxohex-2-enedioate","reactions":[{"id":2698,"direction":"\u003e","locations":"Cytoplasmic","altext":"4-carboxymethylenebut-2-en-4-olide + H(2)O = 4-oxohex-2-enedioate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"Z74134","genbank_protein_id":"1431112","gene_card_id":null,"chromosome_location":null,"locus":"YDL086W","synonyms":["Dienelactone hydrolase","DLH"],"enzyme_classes":["3.1.1.45"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"DLH","identifier":"PF01738"}],"pathways":[],"gene_sequence":"ATGTTGATTACTGAGACCTTTCATGATGTGCAGACATCATACGGCACCACTCTGCGTATATACGTATATTCTCCTAAGATTGCAGGCTATCCACAAGCTAAGTTTCCTGGGGTGATTCTGTACAGTGAAATTTACCAAGTGACGGGTCCGGTTCGTCGTTTTGGTCAAAGAATTGCGTCTGAAGGTTACGTTGTGGTGGCACCTGCCATATACCACAACTTTATGGGCCCTGAAGCGTTGCCCTATGACGTGCAGGGTACCGATATTGGTAACGAGTACAAGATCAAGAAGCCGTTAGAATCATACGATGAGGACAACAAACTGTGTTGCGATCTACTTTTCCAGTTACCCCAATTCGATGGTAAGAGAATTGGTTCCACAGGAATGTGTTTAGGTGGCCATTTGGCTTTTAGAGCGCTCCTGGACAAAAGGGTTACCTGCGCAACCTGCTTCTTCCCTACCGACATCCATTCCAGAACCTTAGGTCTTGGCCAGAACGATAACTCTTTGGAACGTGTTTCGAAGGAGTTGGGTAATAACCAAGAAATGGTTTTGATCTTCGGAACTGCGGACACCCATGTCGACCCGCAAGGCCGCGATCTAATCAGAAAGACCCTCAGAGACCACGGAGTAAAGTTTACGTTCTTGGAAATCCTGGCTGCCCAGCATGCGTTCATCCGTGACGAGTTCAGCAAGGGCAGGTTCGACTCCGCTATCACTCAAAGTTGTCTCGGCTTCTTGTTCGAGCAGTTCAACAGAAAATTGAGAATCGATTTGGGTGAATTTGTCGATGACAATACACCTTTGGAGCACGTTTGTTAA","protein_sequence":"MLITETFHDVQTSYGTTLRIYVYSPKIAGYPQAKFPGVILYSEIYQVTGPVRRFGQRIASEGYVVVAPAIYHNFMGPEALPYDVQGTDIGNEYKIKKPLESYDEDNKLCCDLLFQLPQFDGKRIGSTGMCLGGHLAFRALLDKRVTCATCFFPTDIHSRTLGLGQNDNSLERVSKELGNNQEMVLIFGTADTHVDPQGRDLIRKTLRDHGVKFTFLEILAAQHAFIRDEFSKGRFDSAITQSCLGFLFEQFNRKLRIDLGEFVDDNTPLEHVC"}]}