{"ymdb_id":"YMDB00343","created_at":"2011-05-29T18:07:57.000Z","updated_at":"2016-09-08T18:35:22.000Z","name":"Glycolaldehyde","cas":"141-46-8","state":"Solid","melting_point":"97 oC","description":"Glycolaldehyde is the smallest possible molecule that contains both an aldehyde group and a hydroxyl group. Glycolaldehyde forms from many precursors, including the amino acid glycine. It can form by action of ketolase on fructose 1,6-bisphosphate in an alternate glycolysis pathway. This compound is transferred by thiamine pyrophosphate during the pentose phosphate shunt.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"extracellular;mitochondrion;cytoplasm","synthesis_reference":"Majerski, Piotr A.; Piskorz, Jan K.; Radlein, Desmond St. A. G.  Production of glycolaldehyde by hydrous thermolysis of sugars.    PCT Int. Appl.  (2002),     41 pp.","chebi_id":"17071","hmdb_id":"HMDB03344","kegg_id":"C00266","pubchem_id":"756","cs_id":"736","foodb_id":null,"wikipedia_link":"Glycolaldehyde","biocyc_id":"DIHYDROXYPHENYLGLYCOLALDEHYDE","iupac":"2-hydroxyacetaldehyde","traditional_iupac":"glycolaldehyde","logp":"-1.1992100126666667","pka":null,"alogps_solubility":"7.25e+02 g/l","alogps_logp":"-0.99","alogps_logs":"1.08","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"37.3","refractivity":"13.4205","polarizability":"5.32025357658998","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.1186437664146496","pka_strongest_acidic":"14.268537784266844","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-Hydroxyacetaldehyde","2-Hydroxyethanal","2-OH-acetaldehyde","2-Oxoethanol","Diose","Glycolaldehyde","Glycolic aldehyde","Glycollaldehyde","Hydroxyacetaldehyde","Hydroxyethanal","Methylol formaldehyde","Methylolformaldehyde","Monomethylolformaldehyde"],"pathways":[{"name":"Vitamin B6 metabolism","kegg_map_id":"00750"},{"name":"Glyoxylate and dicarboxylate metabolism","kegg_map_id":"00630"},{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"Pentose and glucuronate interconversions","kegg_map_id":"00040"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"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":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":"2011-05-29T04:30:10.000Z","updated_at":"2011-07-22T17:54:37.000Z","name":"Folic acid synthesis protein FOL1","uniprot_id":"P53848","uniprot_name":"FOL1_YEAST","enzyme":true,"transporter":false,"gene_name":"FOL1","num_residues":824,"molecular_weight":"93119.10156","theoretical_pi":"6.4","general_function":"Involved in dihydropteroate synthase activity","specific_function":"Catalyzes three sequential steps of tetrahydrofolate biosynthesis","reactions":[{"id":1140,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1457,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1461,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1462,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2843,"direction":"\u003e","locations":"Mitochondrion membrane","altext":"2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine = 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine + glycolaldehyde.","export":false,"pw_reaction_id":null,"source":null},{"id":2844,"direction":"\u003e","locations":"Mitochondrion membrane","altext":"ATP + 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine = AMP + (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2845,"direction":"\u003e","locations":"Mitochondrion membrane","altext":"(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate + 4-aminobenzoate = diphosphate + dihydropteroate.","export":false,"pw_reaction_id":null,"source":null},{"id":4141,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006442","source":"Smpdb"},{"id":4142,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006443","source":"Smpdb"},{"id":4143,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006444","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion membrane","genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"FOL1","chromosome_location":"chromosome 14","locus":"YNL256W","synonyms":["Dihydroneopterin aldolase","DHNA","FASA","FASB","2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase","6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase","PPPK","7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase","HPPK","FASC","Dihydropteroate synthase","DHPS","Dihydropteroate pyrophosphorylase","FASD"],"enzyme_classes":["4.1.2.25","2.7.6.3","2.5.1.15"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" transferase activity, transferring alkyl or aryl (other than methyl) groups"},{"category":"Function","description":" diphosphotransferase activity"},{"category":"Function","description":" 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity"},{"category":"Function","description":" aldehyde-lyase activity"},{"category":"Function","description":" dihydroneopterin aldolase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" dihydropteroate synthase activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"},{"category":"Process","description":" folic acid and derivative metabolic process"},{"category":"Process","description":" folic acid and derivative biosynthetic process"},{"category":"Process","description":" pteridine and derivative metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" tetrahydrofolate biosynthetic process"}],"pfams":[{"name":"FolB","identifier":"PF02152"},{"name":"HPPK","identifier":"PF01288"},{"name":"Pterin_bind","identifier":"PF00809"}],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGTCAAAGCTATTTTCTACTGTCAATTCTGCAAGACATAGTGTACCACTAGGCGGCATGAGAGATTATGTGCACATTAAGAAACTAGAGATGAATACAGTTCTTGGGCCTGATTCCTGGAATCAATTAATGCCTCAGAAATGTCTACTAAGCTTAGATATGGGTACAGATTTTAGTAAATCTGCGGCTACGGATGATTTGAAATATTCTCTAAATTATGCAGTTATTTCTCGTGATTTGACGAATTTCGTCAGCAAAAAAAAGAATTGGGGTTCTGTTTCTAATTTGGCTAAATCTGTGTCTCAATTTGTTATGGACAAATATTCTGGTGTCGAGTGTCTGAATTTAGAAGTGCAGGCGGATACAACGCATATTAGAAGTGACCACATATCTTGTATTATTCAACAAGAAAGAGGGAATCCAGAATCACAGGAATTTGACGTTGTTAGGATATCTGAGTTAAAAATGTTGACTTTGATTGGTGTTTTCACCTTTGAGAGACTTAAGAAACAGTATGTAACTTTGGATATAAAGTTGCCTTGGCCAAAGAAAGCCGAATTGCCACCGCCAGTGCAAAGCATAATTGATAACGTTGTCAAGTTTGTGGAGGAATCAAATTTCAAGACTGTGGAAGCTCTTGTAGAATCTGTGTCAGCTGTTATTGCCCATAACGAGTATTTTCAAAAGTTTCCAGATTCGCCTTTGGTGGTGAAGGTTTTGAAATTAAACGCAATCACAGCCACAGAAGGTGTTGGTGTAAGCTGTATTAGAGAGCCCAGGGAGATTGCGATGGTAAATATTCCATATCTTTCCTCCATACATGAATCGTCTGATATTAAGTTCCAATTGTCTTCATCACAAAACACTCCTATTGAGGGTAAAAATACATGGAAAAGAGCGTTTTTAGCGTTTGGTTCAAACATTGGGGACCGTTTCAAACACATTCAAATGGCGTTGCAATTATTATCAAGGGAAAAAACGGTTAAATTACGGAATATTTCGTCTATTTTTGAAAGTGAACCAATGTATTTCAAAGATCAAACCCCTTTCATGAATGGGTGTGTTGAGGTGGAGACATTACTGACCCCAAGCGAATTATTAAAATTGTGTAAAAAAATTGAATATGAAGAGTTGCAAAGAGTCAAGCATTTTGATAATGGTCCGAGAACAATAGATCTGGATATTGTTATGTTTTTGAATAGCGCCGGAGAAGATATTATAGTAAATGAACCGGATTTGAATATACCGCATCCTAGAATGCTGGAGAGGACTTTCGTTCTTGAGCCGTTATGTGAATTAATATCCCCCGTTCACCTTCATCCTGTGACAGCGGAACCCATTGTAGACCATTTAAAACAGTTATACGACAAACAGCATGATGAAGATACCTTATGGAAATTAGTTCCATTGCCTTATCGTAGTGGTGTGGAGCCTAGATTTTTGAAATTCAAGACCGCTACAAAACTTGACGAATTTACTGGAGAAACAAACAGAATTACTGTTTCACCTACATATATCATGGCTATCTTCAACGCTACACCAGATTCATTTTCCGATGGAGGTGAGCATTTTGCGGACATTGAAAGTCAATTGAATGATATCATTAAATTGTGTAAAGACGCATTATATTTGCATGAGAGCGTCATCATCGACGTTGGAGGGTGTTCTACCAGGCCTAACTCTATTCAGGCGTCTGAGGAAGAAGAAATACGCAGGTCTATCCCATTAATTAAGGCCATTAGAGAAAGCACTGAGTTACCGCAAGATAAAGTCATACTATCCATTGATACTTATCGTTCCAATGTCGCTAAAGAAGCGATTAAAGTTGGAGTGGATATTATTAATGATATTTCGGGAGGTTTATTTGACAGCAACATGTTTGCCGTAATTGCAGAGAACCCAGAAATTTGTTATATTTTATCACACACACGTGGTGATATTTCAACGATGAATAGGCTGGCGCATTACGAAAATTTTGCATTGGGTGATTCTATTCAGCAAGAATTTGTTCATAATACCGACATTCAGCAGCTAGACGACTTGAAAGACAAAACAGTGTTAATCAGGAATGTTGGTCAAGAAATTGGCGAAAGGTATATCAAAGCGATTGATAATGGAGTAAAGCGCTGGCAAATTCTAATCGACCCTGGACTTGGTTTTGCTAAGACCTGGAAGCAAAACTTACAAATTATTAGACATATCCCCATTTTAAAGAACTACTCATTCACCATGAACTCAAACAATTCGCAAGTGTATGTTAACCTCAGAAATATGCCCGTTTTATTGGGTCCATCGCGCAAAAAATTCATTGGACATATCACAAAAGATGTGGATGCGAAGCAAAGAGACTTTGCTACTGGAGCGGTGGTAGCGTCGTGTATTGGTTTCGGCAGCGACATGGTTAGGGTCCATGACGTTAAAAATTGTTCGAAGAGCATTAAATTAGCAGATGCTATTTATAAAGGTTTGGAATAA","protein_sequence":"MSKLFSTVNSARHSVPLGGMRDYVHIKKLEMNTVLGPDSWNQLMPQKCLLSLDMGTDFSKSAATDDLKYSLNYAVISRDLTNFVSKKKNWGSVSNLAKSVSQFVMDKYSGVECLNLEVQADTTHIRSDHISCIIQQERGNPESQEFDVVRISELKMLTLIGVFTFERLKKQYVTLDIKLPWPKKAELPPPVQSIIDNVVKFVEESNFKTVEALVESVSAVIAHNEYFQKFPDSPLVVKVLKLNAITATEGVGVSCIREPREIAMVNIPYLSSIHESSDIKFQLSSSQNTPIEGKNTWKRAFLAFGSNIGDRFKHIQMALQLLSREKTVKLRNISSIFESEPMYFKDQTPFMNGCVEVETLLTPSELLKLCKKIEYEELQRVKHFDNGPRTIDLDIVMFLNSAGEDIIVNEPDLNIPHPRMLERTFVLEPLCELISPVHLHPVTAEPIVDHLKQLYDKQHDEDTLWKLVPLPYRSGVEPRFLKFKTATKLDEFTGETNRITVSPTYIMAIFNATPDSFSDGGEHFADIESQLNDIIKLCKDALYLHESVIIDVGGCSTRPNSIQASEEEEIRRSIPLIKAIRESTELPQDKVILSIDTYRSNVAKEAIKVGVDIINDISGGLFDSNMFAVIAENPEICYILSHTRGDISTMNRLAHYENFALGDSIQQEFVHNTDIQQLDDLKDKTVLIRNVGQEIGERYIKAIDNGVKRWQILIDPGLGFAKTWKQNLQIIRHIPILKNYSFTMNSNNSQVYVNLRNMPVLLGPSRKKFIGHITKDVDAKQRDFATGAVVASCIGFGSDMVRVHDVKNCSKSIKLADAIYKGLE"}]}