{"ymdb_id":"YMDB16321","created_at":"2016-09-12T18:36:06.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"5,7,24(28)-Ergostatrienol","cas":null,"state":null,"melting_point":null,"description":null,"experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol","traditional_iupac":"(2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol","logp":"6.646682834666668","pka":null,"alogps_solubility":"6.03e-04 g/l","alogps_logp":"7.64","alogps_logs":"-5.82","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"20.23","refractivity":"125.79259999999995","polarizability":"50.590309406688505","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.3681497086596925","pka_strongest_acidic":"18.270805421445605","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Cholesterol biosynthesis and metabolism CE(10:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(12:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(14:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(16:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(18:0)","kegg_map_id":null},{"name":"Steroid biosynthesis","kegg_map_id":"00100"}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-27T08:08:27.000Z","updated_at":"2011-07-22T17:54:21.000Z","name":"C-5 sterol desaturase","uniprot_id":"P32353","uniprot_name":"ERG3_YEAST","enzyme":true,"transporter":false,"gene_name":"ERG3","num_residues":365,"molecular_weight":"42729.89844","theoretical_pi":"7.79","general_function":"Involved in iron ion binding","specific_function":"Catalyzes the introduction of a C-5 double bond in the B ring of ergosterol. May contribute to the regulation of ergosterol biosynthesis","reactions":[{"id":1360,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":14412,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006926","source":"Smpdb"},{"id":14413,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007266","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"93-113;141-161;243-263","pdb_id":null,"cellular_location":"Endoplasmic reticulum membrane; Multi-pass membrane protein (Probable)","genbank_gene_id":"AY692996","genbank_protein_id":"51013443","gene_card_id":"ERG3","chromosome_location":"chromosome 12","locus":"YLR056W","synonyms":["Ergosterol Delta(5,6) desaturase","Sterol-C5-desaturase"],"enzyme_classes":["1.3.3.-"],"go_classes":[{"category":"Component","description":" organelle"},{"category":"Component","description":" membrane-bounded organelle"},{"category":"Component","description":" intracellular membrane-bounded organelle"},{"category":"Component","description":" endoplasmic reticulum"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" iron ion binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Process","description":" oxidation reduction"},{"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"},{"category":"Process","description":" monocarboxylic acid metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" fatty acid metabolic process"},{"category":"Process","description":" fatty acid biosynthetic process"}],"pfams":[{"name":"FA_hydroxylase","identifier":"PF04116"}],"pathways":[{"name":"Cholesterol biosynthesis and metabolism CE(10:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(12:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(14:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(16:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(18:0)","kegg_map_id":null},{"name":"Steroid biosynthesis","kegg_map_id":"00100"}],"gene_sequence":"ATGGATTTGGTCTTAGAAGTCGCTGACCATTATGTCTTAGACGACTTGTACGCTAAAGTTCTGCCCGCTTCGTTGGCAGCTAATATTCCTGTCAAGTGGCAGAAATTGCTAGGGTTGAACAGTGGGTTCAGCAATTCTACGATTTTGCAGGAGACTTTGAACTCCAAGAATGCCGTCAAAGAATGTAGAAGGTTCTACGGGCAGGTGCCATTCCTGTTTGATATGTCGACGACGTCTTTTGCATCGCTATTGCCTCGTTCCAGCATCTTGAGAGAATTCCTCTCACTATGGGTTATTGTTACGATCTTTGGTTTACTACTTTACTTATTCACGGCTAGTCTCAGCTACGTGTTTGTGTTTGACAAGTCGATTTTCAACCATCCTCGTTACTTGAAAAACCAAATGGCAATGGAAATCAAGTTGGCAGTCAGTGCTATCCCATGGATGTCGATGTTGACCGTTCCATGGTTTGTTATGGAATTGAACGGCCATTCTAAACTATACATGAAGATTGATTATGAAAACCACGGTGTAAGGAAGCTCATTATCGAGTACTTCACTTTCATCTTTTTCACTGATTGCGGTGTGTATTTAGCGCACAGATGGTTGCATTGGCCAAGGGTCTACCGTGCTCTGCACAAGCCTCATCACAAGTGGCTGGTCTGCACACCTTTCGCATCTCATTCTTTCCATCCTGTAGACGGGTTTTTGCAATCCATCTCGTACCACATCTACCCATTGATTCTGCCATTACACAAGGTTTCTTATTTGATTCTGTTCACTTTTGTTAACTTTTGGACTGTTATGATTCATGACGGTCAATACCTATCAAACAATCCTGCCGTCAACGGTACTGCCTGCCACACGGTTCACCATCTATATTTCAACTACAACTACGGTCAATTCACCACTCTGTGGGACAGACTAGGGGGTTCTTACCGTAGACCAGATGACTCATTGTTTGATCCTAAGTTAAGAGATGCTAAGGAGACCTGGGACGCTCAAGTTAAGGAAGTTGAACATTTCATCAAGGAGGTCGAAGGTGATGATAATGATAGAATCTATGAAAACGACCCAAATACCAAGAAGAACAACTGA","protein_sequence":"MDLVLEVADHYVLDDLYAKVLPASLAANIPVKWQKLLGLNSGFSNSTILQETLNSKNAVKECRRFYGQVPFLFDMSTTSFASLLPRSSILREFLSLWVIVTIFGLLLYLFTASLSYVFVFDKSIFNHPRYLKNQMAMEIKLAVSAIPWMSMLTVPWFVMELNGHSKLYMKIDYENHGVRKLIIEYFTFIFFTDCGVYLAHRWLHWPRVYRALHKPHHKWLVCTPFASHSFHPVDGFLQSISYHIYPLILPLHKVSYLILFTFVNFWTVMIHDGQYLSNNPAVNGTACHTVHHLYFNYNYGQFTTLWDRLGGSYRRPDDSLFDPKLRDAKETWDAQVKEVEHFIKEVEGDDNDRIYENDPNTKKNN"},{"created_at":"2011-07-22T06:23:02.000Z","updated_at":"2011-07-22T06:23:02.000Z","name":"Cytochrome P450 61","uniprot_id":"P54781","uniprot_name":"ERG5_YEAST","enzyme":false,"transporter":false,"gene_name":"ERG5","num_residues":538,"molecular_weight":"61333.80078","theoretical_pi":"8.01","general_function":"Secondary metabolites biosynthesis, transport and catabolism","specific_function":"Required to form the C-22(23) double bond in the sterol side chain","reactions":[{"id":14414,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006927","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"U34636","genbank_protein_id":"1235991","gene_card_id":"ERG5","chromosome_location":null,"locus":null,"synonyms":["C-22 sterol desaturase"],"enzyme_classes":[],"go_classes":[{"category":"Function","description":"heme binding"},{"category":"Function","description":"electron carrier activity"},{"category":"Function","description":"iron ion binding"},{"category":"Function","description":"monooxygenase activity"},{"category":"Function","description":"binding"},{"category":"Function","description":"ion binding"},{"category":"Function","description":"cation binding"},{"category":"Function","description":"metal ion binding"},{"category":"Function","description":"transition metal ion binding"},{"category":"Function","description":"catalytic activity"},{"category":"Function","description":"oxidoreductase activity"}],"pfams":[{"name":"p450","identifier":"PF00067"}],"pathways":[{"name":"Cholesterol biosynthesis and metabolism CE(10:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(14:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(18:0)","kegg_map_id":null},{"name":"Steroid biosynthesis","kegg_map_id":"00100"}],"gene_sequence":"ATGAGTTCTGTCGCAGAAAATATAATACAACATGCCACTCATAATTCTACGCTACACCAATTGGCTAAAGACCAGCCCTCTGTAGGCGTCACTACTGCCTTCAGTATCCTGGATACACTTAAGTCTATGTCATATTTGAAAATATTTGCTACTTTAATCTGTATTCTTTTGGTTTGGGACCAAGTTGCATATCAAATCAAGAAAGGTTCCATCGCAGGTCCAAAGTTTAAGTTCTGGCCCATCATCGGTCCATTTTTGGAATCCTTAGATCCAAAGTTTGAAGAATATAAGGCTAAGTGGGCATCCGGTCCACTTTCATGTGTTTCTATTTTCCATAAATTTGTTGTTATCGCATCTACTAGAGACTTGGCAAGAAAGATCTTGCAATCTTCCAAATTCGTCAAACCTTGCGTTGTCGATGTTGCTGTGAAGATCTTAAGACCTTGCAATTGGGTTTTTTTGGACGGTAAAGCTCATACTGATTACAGAAAATCATTAAACGGTCTTTTCACTAAACAAGCTTTGGCTCAATACTTACCTTCATTGGAACAAATCATGGATAAGTACATGGATAAGTTTGTTCGTTTATCTAAGGAGAATAACTACGAGCCCCAGGTCTTTTTCCATGAAATGAGAGAAATTCTTTGCGCCTTATCATTGAACTCTTTCTGTGGTAACTATATTACCGAAGATCAAGTCAGAAAGATTGCTGATGATTACTATTTGGTTACAGCAGCATTGGAATTAGTCAACTTCCCAATTATTATCCCTTACACTAAAACATGGTATGGTAAGAAAACTGCAGACATGGCCATGAAGATTTTCGAAAACTGTGCTCAAATGGCTAAGGATCATATTGCTGCAGGTGGTAAGCCAGTTTGTGTTATGGATGCTTGGTGTAAGTTGATGCACGATGCAAAGAATAGTAACGATGATGATTCTAGAATCTACCACAGAGAGTTTACTAACAAGGAAATCTCCGAAGCTGTTTTCACTTTCTTATTTGCTTCTCAAGATGCCTCTTCTTCTTTAGCTTGTTGGTTGTTCCAAATTGTTGCTGACCGTCCAGATGTCTTAGCTAAGATCAGAGAAGAACAATTGGCTGTTCGTAACAATGACATGTCTACCGAATTGAACTTGGATTTGATTGAGAAAATGAAGTACACCAATATGGTCATAAAAGAAACTTTGCGTTACAGACCTCCTGTCTTGATGGTTCCATATGTTGTTAAGAAGAATTTCCCAGTTTCCCCTAACTATACCGCACCAAAGGGCGCTATGTTAATTCCAACCTTATACCCAGCTTTACATGATCCTGAAGTTTACGAAAATCCTGATGAGTTCATCCCTGAAAGATGGGTAGAAGGCTCTAAGGCTAGTGAAGCAAAGAAGAATTGGTTGGTTTTTGGTTGTGGTCCACACGTTTGCTTAGGTCAAACATATGTCATGATTACCTTCGCCGCTTTGTTGGGTAAATTTGCACTATATACTGATTTCCATCATACAGTGACTCCATTAAGTGAAAAAATCAAGGTTTTCGCTACAATTTTCCCAAAAGATGATTTGTTACTGACTTTCAAAAAGAGAGACCCAATTACTGGAGAAGTCTTCGAATAA","protein_sequence":"MSSVAENIIQHATHNSTLHQLAKDQPSVGVTTAFSILDTLKSMSYLKIFATLICILLVWDQVAYQIKKGSIAGPKFKFWPIIGPFLESLDPKFEEYKAKWASGPLSCVSIFHKFVVIASTRDLARKILQSSKFVKPCVVDVAVKILRPCNWVFLDGKAHTDYRKSLNGLFTKQALAQYLPSLEQIMDKYMDKFVRLSKENNYEPQVFFHEMREILCALSLNSFCGNYITEDQVRKIADDYYLVTAALELVNFPIIIPYTKTWYGKKTADMAMKIFENCAQMAKDHIAAGGKPVCVMDAWCKLMHDAKNSNDDDSRIYHREFTNKEISEAVFTFLFASQDASSSLACWLFQIVADRPDVLAKIREEQLAVRNNDMSTELNLDLIEKMKYTNMVIKETLRYRPPVLMVPYVVKKNFPVSPNYTAPKGAMLIPTLYPALHDPEVYENPDEFIPERWVEGSKASEAKKNWLVFGCGPHVCLGQTYVMITFAALLGKFALYTDFHHTVTPLSEKIKVFATIFPKDDLLLTFKKRDPITGEVFE"}]}