{"ymdb_id":"YMDB00094","created_at":"2011-05-29T15:56:06.000Z","updated_at":"2016-09-08T18:35:00.000Z","name":"Methylisocitric acid","cas":"20298-95-7","state":"Solid","melting_point":"","description":"Methylisocitric acid is a product of bacterial metabolism in the gut.  It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"mitochondrion","synthesis_reference":null,"chebi_id":"15607","hmdb_id":"HMDB06471","kegg_id":"C04593","pubchem_id":"513","cs_id":"498","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-618","iupac":"1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid","traditional_iupac":"α-methylisocitric acid","logp":"-1.0135623636666664","pka":"4.805179537739238","alogps_solubility":"1.49e+02 g/l","alogps_logp":"-0.87","alogps_logs":"-0.14","acceptor_count":"7","donor_count":"4","rotatable_bond_count":"5","polar_surface_area":"132.13","refractivity":"40.42940000000001","polarizability":"17.369726498071245","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"-4.066922204255973","pka_strongest_acidic":"3.1668703375685876","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(2R,3S)2-methylisocitrate","(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate","3-Carboxy-2,3-dideoxy-4-C-methylpentaric acid","3-Hydroxy-1,2,3-butanetricarboxylate","3-hydroxy-1,2,3-Butanetricarboxylic acid","3-hydroxybutane-1,2,3-tricarboxylic acid","Alpha-methylisocitrate","D.L-methylisocitrate","DL-Methylisocitric acid","DL-threo-alpha-methylisocitrate","Methylisocitric acid","Threo-alpha-methylisocitrate"],"pathways":[{"name":"Propanoate metabolism","kegg_map_id":"00640"}],"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."},{"pubmed_id":11092862,"citation":"Luttik, M. A., Kotter, P., Salomons, F. A., van der Klei, I. J., van Dijken, J. P., Pronk, J. T. (2000). \"The Saccharomyces cerevisiae ICL2 gene encodes a mitochondrial 2-methylisocitrate lyase involved in propionyl-coenzyme A metabolism.\" J Bacteriol 182:7007-7013."}],"proteins":[{"created_at":"2011-05-26T18:22:03.000Z","updated_at":"2011-05-27T15:01:04.000Z","name":"Mitochondrial 2-methylisocitrate lyase","uniprot_id":"Q12031","uniprot_name":"ACEB_YEAST","enzyme":true,"transporter":false,"gene_name":"ICL2","num_residues":575,"molecular_weight":"64975.39844","theoretical_pi":"7.63","general_function":"Involved in isocitrate lyase activity","specific_function":"Catalyzes the formation of pyruvate and succinate from 2-methylisocitrate during the metabolism of endogenous propionyl- CoA. Does not act on isocitrate","reactions":[{"id":1735,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2527,"direction":"\u003e","locations":"Mitochondrion matrix","altext":"(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate = pyruvate + succinate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion matrix","genbank_gene_id":"Z48951","genbank_protein_id":"763005","gene_card_id":"ICL2","chromosome_location":"chromosome 16","locus":"YPR006C","synonyms":["Methylisocitrate lyase"],"enzyme_classes":["4.1.3.30"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" isocitrate lyase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxo-acid-lyase activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" organic acid metabolic process"},{"category":"Process","description":" oxoacid metabolic process"},{"category":"Process","description":" carboxylic acid metabolic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"ICL","identifier":"PF00463"}],"pathways":[{"name":"Propanoate metabolism","kegg_map_id":"00640"}],"gene_sequence":"ATGATTACAATGATTAACAACAAAACTTTCAATAGAAAAACTACGGGAACACTGAAGAAGCTGGTTTTGTCATCAGACAAGTCACTGCGAAGATCTTTCAACGGGGCAAGCAGTACTAAAGACTTCGTGTTCTCGGAATCAAGTAAAGTAGAAGAATGGTGGGAATCAGCCAGATTTAAGAATATCAGTCGTCCATACTCAGCTACGGATGTTGTAAAGCATCGGGGCAGCCTTCCTGCTAATACTTCAATTTATCCTTCATCTTATCAAGCTCGAAAGCTGTTCAACTTACTAGAAGAGAATTTCAAGAATGGTACTCCACTTCACACGTTGGGAGTTATCGATCCTGTACAAATGAGTCAGTTGGCCCGTTGCAGAAATATCAAAGTTGCTTACATATCTGGTTGGGCTTGTTCTTCCACATTAGTTGGATCTACAAATGAAGTATCGCCGGATTTTGGCGATTATCCATACGATACTGTGCCGAATCAAGTGGAGAGAATATTCAAGGCGCAGCAATTGCACGATCGAAAGGCTTTCTTGGAGGCCTCCATCAAAGGTTCTACTCCTGTTGATTATTTAAAACCAATTATCGCGGACGCAGACATGGGTCACGGTGGCCCAACGACTGTAATGAAAGTTGCTAAGTTGTTTGCGGAGAAAGGGGCTGCTGGTATTCATCTTGAAGATCAGATGGTGGGAGGCAAAAGGTGTGGCCATCTAAGTGGGGCTGTTTTGGTGCCCACAGCAACACATCTTATGAGATTGATTTCCACCAGGTTTCAATGGGATATCATGGGGACAGAAAATTTGGTTATTGCAAGAACAGATTCCTGTAATGGTAAGCTGTTGAGTTCAAGCAGTGATCCGAGAGACCACGAATTCATTAGGGGTATAATAAGAGATAACGTGGTGCCTTGGAGCGAAAAATTGATTGAGATGGAGGACAAAAAAATTCCCAACTCCGCCATTGCTGACATGGAAAAAGAATGGTACCATGAAAATGAGCTGTTTACATTTGAAGAGGCCTTAGAAAAGCAGTTTACGGCAAGCGAGTTTGAAAGCTATAAAGAAAAGAAGGAAGACCTTATGGTAAACAAGCTGGGTAGAGCATACCTAAGCTTAAGAGAAATGAAACTTTTAGCTCAAGAAGTGACACCACTAAAGAAAATTATATTTGACTGGGATGCTCCGAGGACCAAAGAGGGATATTACATGTTTAACGGTTGTATTGAAGCAGCTATTAGAAGATCTTTGGTGTTTGCCCCATATTCTGATATGATTTGGCTGGAAACGAAAACTCCTGACCTGGAGCAGGCACGCTCATTTTCAAGAAAAATTCATAAACAACTTCCAGCTACCAAGCTAGTATATAACTTATCTCCTAGTTTCAATTGGAGCGCTCACGGCTTTGATGATAAGGCATTAAAATCCTTCGTATGGGACTTGGCAAAAGAAGGCTTCACGTTGCAACTGGTTTCCCTTGCCGGTCTGCATTCAGATGGAGTATCATTCTGGGAATTAGCCAATAGCTTCCAAAGTGACGGAATGAAAGCATACGTCGAAAAAGTGCAAAAACGGGAAAAGGAGACTAATTGTGATATCATGACACACCAGCTATGGTCTGGTGCAGAATATGTTGATTCCTTAATGAAAGTTGTCCAAAACGGTGCTTCATCCCAAACTTTAAGTACATCTGGTGAGAGCTTTACCGAAACGCAATTTTGA","protein_sequence":"MITMINNKTFNRKTTGTLKKLVLSSDKSLRRSFNGASSTKDFVFSESSKVEEWWESARFKNISRPYSATDVVKHRGSLPANTSIYPSSYQARKLFNLLEENFKNGTPLHTLGVIDPVQMSQLARCRNIKVAYISGWACSSTLVGSTNEVSPDFGDYPYDTVPNQVERIFKAQQLHDRKAFLEASIKGSTPVDYLKPIIADADMGHGGPTTVMKVAKLFAEKGAAGIHLEDQMVGGKRCGHLSGAVLVPTATHLMRLISTRFQWDIMGTENLVIARTDSCNGKLLSSSSDPRDHEFIRGIIRDNVVPWSEKLIEMEDKKIPNSAIADMEKEWYHENELFTFEEALEKQFTASEFESYKEKKEDLMVNKLGRAYLSLREMKLLAQEVTPLKKIIFDWDAPRTKEGYYMFNGCIEAAIRRSLVFAPYSDMIWLETKTPDLEQARSFSRKIHKQLPATKLVYNLSPSFNWSAHGFDDKALKSFVWDLAKEGFTLQLVSLAGLHSDGVSFWELANSFQSDGMKAYVEKVQKREKETNCDIMTHQLWSGAEYVDSLMKVVQNGASSQTLSTSGESFTETQF"}]}