{"ymdb_id":"YMDB00591","created_at":"2011-05-29T18:33:47.000Z","updated_at":"2016-09-08T18:35:39.000Z","name":"L-arabinitol","cas":"7643-75-6","state":"Solid","melting_point":"101-104 oC","description":"Arabitol (arabinitol) is a five-carbon sugar alcohol. It can be formed by the reduction of either arabinose or lyxose.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular;cytoplasm","synthesis_reference":null,"chebi_id":"18403","hmdb_id":"HMDB01851","kegg_id":"C00532","pubchem_id":"439255","cs_id":"388391","foodb_id":null,"wikipedia_link":"Arabitol","biocyc_id":"L-ARABITOL","iupac":"(2S,4S)-pentane-1,2,3,4,5-pentol","traditional_iupac":"arabinitol","logp":"-3.099683906666666","pka":"13.742189661908146","alogps_solubility":"6.64e+02 g/l","alogps_logp":"-2.53","alogps_logs":"0.64","acceptor_count":"5","donor_count":"5","rotatable_bond_count":"4","polar_surface_area":"101.15","refractivity":"32.44109999999999","polarizability":"14.275101100378855","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9742034412471314","pka_strongest_acidic":"12.760078510562963","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,2,3,4,5-Pentahydroxypentane","Adonite Adonitol","Arabinitol","Arabinitol, L-","L-(-)-Arabinitol","L-(-)-Arabitol","L-(+)-Arabitol","L-arabinitol","l-arabinol","l-arabitol","l-lyxitol","L(-)-Arabitol","pentitol"],"pathways":[{"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":"2011-05-27T01:58:22.000Z","updated_at":"2011-07-22T17:54:34.000Z","name":"NADPH-dependent aldose reductase GRE3","uniprot_id":"P38715","uniprot_name":"GRE3_YEAST","enzyme":true,"transporter":false,"gene_name":"GRE3","num_residues":327,"molecular_weight":"37118.5","theoretical_pi":"7.09","general_function":"Involved in oxidoreductase activity","specific_function":"Reduces the cytotoxic compound methylglyoxal (MG) to (R)-lactaldehyde similar to GRE2. MG is synthesized via a bypath of glycolysis from dihydroxyacetone phosphate and is believed to play a role in cell cycle regulation and stress adaptation. In pentose-fermenting yeasts, aldose reductase catalyzes the reduction of xylose into xylitol. The purified enzyme catalyzes this reaction, but the inability of S.cerevisiae to grow on xylose as sole carbon source indicates that the physiological function is more likely methylglyoxal reduction","reactions":[{"id":1292,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1325,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1436,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1702,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2051,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2650,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"Alditol + NAD(P)(+) = aldose + NAD(P)H.","export":false,"pw_reaction_id":null,"source":null},{"id":2651,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"(R)-lactaldehyde + NADP(+) = methylglyoxal + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":14078,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006505","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":"U00059","genbank_protein_id":"529125","gene_card_id":"GRE3","chromosome_location":"chromosome 8","locus":"YHR104W","synonyms":["Genes de respuesta a estres protein 3","NADPH-dependent aldo-keto reductase GRE3","NADPH-dependent methylglyoxal reductase GRE3","Xylose reductase"],"enzyme_classes":["1.1.1.21","1.1.1.-"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"Aldo_ket_red","identifier":"PF00248"}],"pathways":[{"name":"Pentose and glucuronate interconversions","kegg_map_id":"00040"},{"name":"Fructose and mannose metabolism","kegg_map_id":"00051"},{"name":"Galactose metabolism","kegg_map_id":"00052"},{"name":"Glycerolipid metabolism","kegg_map_id":"00561"},{"name":"Pyruvate metabolism","kegg_map_id":"00620"},{"name":"xylitol degradation","kegg_map_id":null}],"gene_sequence":"ATGTCTTCACTGGTTACTCTTAATAACGGTCTGAAAATGCCCCTAGTCGGCTTAGGGTGCTGGAAAATTGACAAAAAAGTCTGTGCGAATCAAATTTATGAAGCTATCAAATTAGGCTACCGTTTATTCGATGGTGCTTGCGACTACGGCAACGAAAAGGAAGTTGGTGAAGGTATCAGGAAAGCCATCTCCGAAGGTCTTGTTTCTAGAAAGGATATATTTGTTGTTTCAAAGTTATGGAACAATTTTCACCATCCTGATCATGTAAAATTAGCTTTAAAGAAGACCTTAAGCGATATGGGACTTGATTATTTAGACCTGTATTATATTCACTTCCCAATCGCCTTCAAATATGTTCCATTTGAAGAGAAATACCCTCCAGGATTCTATACGGGCGCAGATGACGAGAAGAAAGGTCACATCACCGAAGCACATGTACCAATCATAGATACGTACCGGGCTCTGGAAGAATGTGTTGATGAAGGCTTGATTAAGTCTATTGGTGTTTCCAACTTTCAGGGAAGCTTGATTCAAGATTTATTACGTGGTTGTAGAATCAAGCCCGTGGCTTTGCAAATTGAACACCATCCTTATTTGACTCAAGAACACCTAGTTGAGTTTTGTAAATTACACGATATCCAAGTAGTTGCTTACTCCTCCTTCGGTCCTCAATCATTCATTGAGATGGACTTACAGTTGGCAAAAACCACGCCAACTCTGTTCGAGAATGATGTAATCAAGAAGGTCTCACAAAACCATCCAGGCAGTACCACTTCCCAAGTATTGCTTAGATGGGCAACTCAGAGAGGCATTGCCGTCATTCCAAAATCTTCCAAGAAGGAAAGGTTACTTGGCAACCTAGAAATCGAAAAAAAGTTCACTTTAACGGAGCAAGAATTGAAGGATATTTCTGCACTAAATGCCAACATCAGATTTAATGATCCATGGACCTGGTTGGATGGTAAATTCCCCACTTTTGCCTGA","protein_sequence":"MSSLVTLNNGLKMPLVGLGCWKIDKKVCANQIYEAIKLGYRLFDGACDYGNEKEVGEGIRKAISEGLVSRKDIFVVSKLWNNFHHPDHVKLALKKTLSDMGLDYLDLYYIHFPIAFKYVPFEEKYPPGFYTGADDEKKGHITEAHVPIIDTYRALEECVDEGLIKSIGVSNFQGSLIQDLLRGCRIKPVALQIEHHPYLTQEHLVEFCKLHDIQVVAYSSFGPQSFIEMDLQLAKTTPTLFENDVIKKVSQNHPGSTTSQVLLRWATQRGIAVIPKSSKKERLLGNLEIEKKFTLTEQELKDISALNANIRFNDPWTWLDGKFPTFA"}]}