{"ymdb_id":"YMDB00030","created_at":"2011-05-29T15:50:03.000Z","updated_at":"2016-09-08T18:34:55.000Z","name":"Dihydrobiopterin","cas":"6779-87-9","state":"Solid","melting_point":"","description":"Dihydrobiopterin is an oxidation product of tetrahydrobiopterin in the phenylalanine degradation pathway. [Biocyc PHENYLALANINE-DEG1-PWY]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"","synthesis_reference":"Gal E M. Synthesis and quantitative aspects of dihydrobiopterin control of cerebral serotonin levels.    Advances in experimental medicine and biology  (1981),  133 197-206.","chebi_id":"15375","hmdb_id":"HMDB00038","kegg_id":"C02953","pubchem_id":"252","cs_id":"247","foodb_id":null,"wikipedia_link":"Dihydrobiopterin","biocyc_id":"BIOPTERIN","iupac":"2-amino-6-(1,2-dihydroxypropyl)-3,4,7,8-tetrahydropteridin-4-one","traditional_iupac":"7,8-dihydrobiopterin","logp":"-1.947500499333333","pka":"12.133901876526668","alogps_solubility":"1.63e+00 g/l","alogps_logp":"-1.65","alogps_logs":"-2.17","acceptor_count":"7","donor_count":"5","rotatable_bond_count":"2","polar_surface_area":"132.32999999999998","refractivity":"68.31329999999998","polarizability":"23.041007497131407","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"0.5910522300598404","pka_strongest_acidic":"7.624833827208914","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-7,8-dihydro-6H-pterin","(S-(R*,S*))-2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone","2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone","2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-4(1H)-Pteridinone","6,7-Dihydrobiopterin","7,8-Dihydro-L-biopterin","7,8-Dihydrobiopterin","BH2","Dihydrobiopterin","L-erythro-1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-1,2-Propanediol","L-erythro-7,8-Dihydrobiopterin","L-erythro-Dihydrobiopterin","L-erythro-q-Dihydrobiopterin","Q-BH2","Quinoid-dihydrobiopterin","Quinonoid dihydro-(6H)-biopterin","Quinonoid dihydrobiopterin"],"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":"2011-05-24T20:46:17.000Z","updated_at":"2011-05-24T20:46:17.000Z","name":"Putative pterin-4-alpha-carbinolamine dehydratase","uniprot_id":"P38744","uniprot_name":"PHS_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":120,"molecular_weight":"14026.0","theoretical_pi":"9.09","general_function":"Involved in 4-alpha-hydroxytetrahydrobiopterin dehydratase activity","specific_function":"(6R)-6-(L-erythro-1,2-dihydroxypropyl)- 5,6,7,8-tetrahydro-4a-hydroxypterin = (6R)-6-(L-erythro-1,2- dihydroxypropyl)-7,8-dihydro-6H-pterin + H(2)O","reactions":[{"id":2342,"direction":"\u003e","locations":null,"altext":"(6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin = (6R)-6-(L-erythro-1,2-dihydroxypropyl)-7,8-dihydro-6H-pterin + H(2)O.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY558391","genbank_protein_id":"45270672","gene_card_id":null,"chromosome_location":null,"locus":"YHL018W","synonyms":["PHS","4-alpha-hydroxy-tetrahydropterin dehydratase","Pterin carbinolamine dehydratase","PCD"],"enzyme_classes":["4.2.1.96"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" 4-alpha-hydroxytetrahydrobiopterin dehydratase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-oxygen lyase activity"},{"category":"Function","description":" hydro-lyase activity"},{"category":"Process","description":" pteridine and derivative biosynthetic process"},{"category":"Process","description":" tetrahydrobiopterin biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic process"},{"category":"Process","description":" cellular biosynthetic process"},{"category":"Process","description":" heterocycle biosynthetic process"}],"pfams":[{"name":"Pterin_4a","identifier":"PF01329"}],"pathways":[],"gene_sequence":"ATGCACAACAAGATTGTTAGAATCGCGTCCAGTGCACTCACAGGGGGCAAACTACTCGAGAAGCTAAAACCCTTGACCCGTTGGGAAGTTCAATGGGACCCTAATAAGACCAAATGTTTGGGAATAACAAGAGAGGTAACATTCAAGGACTACGAAACCACATGGGCCTTTTTGACTCGTGTATCGATGAGATCTCATCTATGGGGCCACCATCCCCTGATTCACACAAGTTACACCTGGGTCAAGCTGGAACTTCATACGCATGACATAGACCCGAAAGACGGGGCTCACAGCCAGCTTAGCGATATAGACGTCCGGATGGCCAAGAGAATAGATTCCTACATCGATGAGATGACAACTTGA","protein_sequence":"MHNKIVRIASSALTGGKLLEKLKPLTRWEVQWDPNKTKCLGITREVTFKDYETTWAFLTRVSMRSHLWGHHPLIHTSYTWVKLELHTHDIDPKDGAHSQLSDIDVRMAKRIDSYIDEMTT"}]}