{"ymdb_id":"YMDB01489","created_at":"2011-07-25T20:44:56.000Z","updated_at":"2016-09-08T18:36:44.000Z","name":"7,8-Didehydrodesmosterol","cas":"1715-86-2","state":"Solid","melting_point":null,"description":"7,8-Didehydrodesmosterol is a derivative of desmosterol, which is a molecule similar to cholesterol.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"6.101","location":null,"synthesis_reference":null,"chebi_id":"27910","hmdb_id":"HMDB03896","kegg_id":"C05107","pubchem_id":"440558","cs_id":"4292297","foodb_id":"FDB012781","wikipedia_link":null,"biocyc_id":"CPD-8646","iupac":"(1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol","traditional_iupac":"(1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol","logp":"6.301730068000001","pka":null,"alogps_solubility":"6.40e-04 g/l","alogps_logp":"7.46","alogps_logs":"-5.78","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"4","polar_surface_area":"20.23","refractivity":"122.31649999999999","polarizability":"48.87272426542275","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":["24-Dehydroprovitamin D3","7-dehydrodesmosterol","Cholesta-5,7,24-trien-3-ol, (3beta)-","Cholesta-5,7,24-trien-3beta-ol","Cholesta-5,7,24-triene-3beta-ol"],"pathways":[{"name":"Steroid biosynthesis","kegg_map_id":"00100"},{"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}],"growth_conditions":[],"references":[{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"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":" intracellular membrane-bounded organelle"},{"category":"Component","description":" endoplasmic reticulum"},{"category":"Component","description":" organelle"},{"category":"Component","description":" membrane-bounded organelle"},{"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":"Function","description":" transition metal ion binding"},{"category":"Function","description":" iron ion binding"},{"category":"Function","description":" oxidoreductase activity"},{"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"},{"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"}],"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"}]}