{"ymdb_id":"YMDB00674","created_at":"2011-05-29T18:42:25.000Z","updated_at":"2016-09-08T18:35:46.000Z","name":"aldehydo-D-galacturonate","cas":"685-73-4","state":"Solid","melting_point":"166 oC","description":"aldehydo-D-Galacturonate is the linear form of D-galacturonate, a carboxylic acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":"47962","hmdb_id":null,"kegg_id":"C00333","pubchem_id":"439215","cs_id":"24770201","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid","traditional_iupac":"aldehydo-D-galacturonic acid","logp":"-3.248086025","pka":"12.262057101736255","alogps_solubility":"1.00e+02 g/l","alogps_logp":"-2.32","alogps_logs":"-0.29","acceptor_count":"7","donor_count":"5","rotatable_bond_count":"5","polar_surface_area":"135.29","refractivity":"37.213","polarizability":"16.23442601587284","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.6897568428527263","pka_strongest_acidic":"3.2378873610898107","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["D-Galactopyranuronic acid","D-Galacturonate","D-Galacturonic acid","Galactopyranuronic acid, D-","Galacturonic acid, D-","hexuronic acid"],"pathways":[{"name":"Amino sugar and nucleotide sugar metabolism","kegg_map_id":"00520"},{"name":"Starch and sucrose metabolism","kegg_map_id":"00500"},{"name":"Pentose and glucuronate interconversions","kegg_map_id":"00040"}],"growth_conditions":[],"references":[{"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":"2011-05-27T09:18:49.000Z","updated_at":"2011-07-22T17:54:40.000Z","name":"Polygalacturonase","uniprot_id":"P47180","uniprot_name":"PGLR_YEAST","enzyme":true,"transporter":false,"gene_name":"PGU1","num_residues":361,"molecular_weight":"37286.60156","theoretical_pi":"8.31","general_function":"Involved in polygalacturonase activity","specific_function":"Random hydrolysis of (1-\u003e4)-alpha-D- galactosiduronic linkages in pectate and other galacturonans","reactions":[{"id":1476,"direction":null,"locations":"extracellular","altext":null,"export":true,"pw_reaction_id":null,"source":null}],"signal_regions":"1-18","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"AB011818","genbank_protein_id":"2951783","gene_card_id":"PGU1","chromosome_location":"chromosome 10","locus":"YJR153W","synonyms":["PG","PGase SM","Pectinase"],"enzyme_classes":["3.2.1.15"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on glycosyl bonds"},{"category":"Function","description":" hydrolase activity, hydrolyzing O-glycosyl compounds"},{"category":"Function","description":" polygalacturonase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" primary metabolic process"},{"category":"Process","description":" carbohydrate metabolic process"}],"pfams":[{"name":"Glyco_hydro_28","identifier":"PF00295"}],"pathways":[{"name":"Pentose and glucuronate interconversions","kegg_map_id":"00040"},{"name":"Starch and sucrose metabolism","kegg_map_id":"00500"}],"gene_sequence":"ATGATTTCTGCTAATTCATTACTTATTTCCACTTTGTGCGCTTTTGCGATCGCAACACCTTTGTCAAAAAGAGATTCCTGTACCCTAACAGGATCTTCTTTGTCTTCACTCTCAACCGTGAAAAAATGTAGCAGCATCGTTATTAAAGACTTAACTGTCCCAGCTGGACAGACTTTAGATTTAACTGGGTTAAGCAGTGGTACTACTGTTACGTTTGAAGGCACAACCACATTTCAGTACAAGGAATGGAGCGGCCCTTTAATTTCAATCTCAGGGTCTAAAATCAGCGTTGTTGGTGCTTCGGGACATACCATTGATGGTCAAGGAGCAAAATGGTGGGATGGCTTAGGTGATAGCGGTAAAGTCAAACCGAAGTTTGTAAAGTTGGCGTTGACGGGAACATCTAAGGTCACCGGATTGAATATTAAAAATGCTCCACACCAAGTCTTCAGCATCAATAAATGTTCAGATTTAACCATCAGCGACATAACAATTGATATCAGAGACGGTGATTCGGCTGGTGGTCATAATACGGATGGGTTTGATGTTGGTAGTTCTAGTAACGTCTTAATTCAAGGATGTACTGTTTATAATCAGGATGACTGTATTGCTGTGAATTCCGGTTCAACTATTAAATTTATGAACAACTACTGCTACAATGGCCATGGTATTTCTGTAGGTTCTGTTGGTGGCCGTTCTGATAATACAGTCAATGGTTTCTGGGCTGAAAATAACCATGTTATCAACTCTGACAACGGGTTGAGAATAAAAACCGTAGAAGGTGCGACAGGCACAGTCACTAATGTCAACTTTATCAGTAATAAAATTAGCGGCATAAAAAGTTATGGTATTGTTATCGAAGGCGATTATTTGAATAGTAAGACTACTGGAACTGCTACAGGTGGCGTTCCCATTTCGAATTTAGTAATGAAGGATATCACCGGGAGCGTGAACTCCACAGCGAAGAGGGTTAAAATTTTGGTGAAAAACGCTACTAACTGGCAATGGTCTGGGGTGTCAATTACCGGTGGTTCTTCCTATTCTGGATGTTCTGGAATCCCATCTGGATCTGGTGCAAGCTGTTAA","protein_sequence":"MISANSLLISTLCAFAIATPLSKRDSCTLTGSSLSSLSTVKKCSSIVIKDLTVPAGQTLDLTGLSSGTTVTFEGTTTFQYKEWSGPLISISGSKISVVGASGHTIDGQGAKWWDGLGDSGKVKPKFVKLALTGTSKVTGLNIKNAPHQVFSINKCSDLTISDITIDIRDGDSAGGHNTDGFDVGSSSNVLIQGCTVYNQDDCIAVNSGSTIKFMNNYCYNGHGISVGSVGGRSDNTVNGFWAENNHVINSDNGLRIKTVEGATGTVTNVNFISNKISGIKSYGIVIEGDYLNSKTTGTATGGVPISNLVMKDITGSVNSTAKRVKILVKNATNWQWSGVSITGGSSYSGCSGIPSGSGASC"}]}