{"ymdb_id":"YMDB00159","created_at":"2011-05-29T16:02:29.000Z","updated_at":"2016-09-08T18:35:07.000Z","name":"cis-4-carboxymethylenebut-2-en-4-olide","cas":"73237-79-3","state":null,"melting_point":null,"description":"cis-4-Carboxymethylenebut-2-en-4-olide is an intermediate in chlorocyclohexane and chlorobenzene degradation pathway. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm","synthesis_reference":null,"chebi_id":"18371","hmdb_id":null,"kegg_id":"C04431","pubchem_id":"5459914","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-[(2E)-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid","traditional_iupac":"[(2E)-5-oxofuran-2-ylidene]acetic acid","logp":"0.18295978666666662","pka":null,"alogps_solubility":"2.31e+01 g/l","alogps_logp":"0.72","alogps_logs":"-0.78","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"63.60000000000001","refractivity":"33.325700000000005","polarizability":"11.912014006023167","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-6.947904211705147","pka_strongest_acidic":"3.0646434995810767","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(5-oxo-2(5H)-furanylidene)acetic acid","4-Carboxymethylenebut-2-en-4-olide","cis-4-Carboxymethylenebut-2-en-4-olide"],"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":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"DLH","identifier":"PF01738"}],"pathways":[],"gene_sequence":"ATGTTGATTACTGAGACCTTTCATGATGTGCAGACATCATACGGCACCACTCTGCGTATATACGTATATTCTCCTAAGATTGCAGGCTATCCACAAGCTAAGTTTCCTGGGGTGATTCTGTACAGTGAAATTTACCAAGTGACGGGTCCGGTTCGTCGTTTTGGTCAAAGAATTGCGTCTGAAGGTTACGTTGTGGTGGCACCTGCCATATACCACAACTTTATGGGCCCTGAAGCGTTGCCCTATGACGTGCAGGGTACCGATATTGGTAACGAGTACAAGATCAAGAAGCCGTTAGAATCATACGATGAGGACAACAAACTGTGTTGCGATCTACTTTTCCAGTTACCCCAATTCGATGGTAAGAGAATTGGTTCCACAGGAATGTGTTTAGGTGGCCATTTGGCTTTTAGAGCGCTCCTGGACAAAAGGGTTACCTGCGCAACCTGCTTCTTCCCTACCGACATCCATTCCAGAACCTTAGGTCTTGGCCAGAACGATAACTCTTTGGAACGTGTTTCGAAGGAGTTGGGTAATAACCAAGAAATGGTTTTGATCTTCGGAACTGCGGACACCCATGTCGACCCGCAAGGCCGCGATCTAATCAGAAAGACCCTCAGAGACCACGGAGTAAAGTTTACGTTCTTGGAAATCCTGGCTGCCCAGCATGCGTTCATCCGTGACGAGTTCAGCAAGGGCAGGTTCGACTCCGCTATCACTCAAAGTTGTCTCGGCTTCTTGTTCGAGCAGTTCAACAGAAAATTGAGAATCGATTTGGGTGAATTTGTCGATGACAATACACCTTTGGAGCACGTTTGTTAA","protein_sequence":"MLITETFHDVQTSYGTTLRIYVYSPKIAGYPQAKFPGVILYSEIYQVTGPVRRFGQRIASEGYVVVAPAIYHNFMGPEALPYDVQGTDIGNEYKIKKPLESYDEDNKLCCDLLFQLPQFDGKRIGSTGMCLGGHLAFRALLDKRVTCATCFFPTDIHSRTLGLGQNDNSLERVSKELGNNQEMVLIFGTADTHVDPQGRDLIRKTLRDHGVKFTFLEILAAQHAFIRDEFSKGRFDSAITQSCLGFLFEQFNRKLRIDLGEFVDDNTPLEHVC"}]}