{"ymdb_id":"YMDB00015","created_at":"2011-05-29T15:48:43.000Z","updated_at":"2016-09-08T18:34:54.000Z","name":"Delta 8,14 -Sterol","cas":"74635-33-9","state":"Solid","melting_point":"","description":"Delta 8,14-Sterol is an intermediate in the biosynthesis of steroids.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"Cellular membrane","synthesis_reference":null,"chebi_id":"30109","hmdb_id":"HMDB06928","kegg_id":"C11508","pubchem_id":"443237","cs_id":"24676912","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-9523","iupac":"(2S,5S,6S,7S,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),11-dien-5-ol","traditional_iupac":"(2S,5S,6S,7S,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),11-dien-5-ol","logp":"6.967997836333335","pka":null,"alogps_solubility":"1.56e-03 g/l","alogps_logp":"7.00","alogps_logs":"-5.42","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"20.23","refractivity":"129.99759999999998","polarizability":"53.05747553131935","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.067900633661555","pka_strongest_acidic":"18.957245922127218","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["4-alpha-methyl-5-alpha-ergosta-8,14,24(28)-trien-3-beta-ol","4a-Methyl-5a-ergosta-8,14,24(28)-trien-3b-ol","4a-Methylergosta-8,14,24(241)-trien-3b-ol","4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol","delta 8,14 -Sterol","delta8,14 -Sterol","delta8,14-Sterol","δ 8,14 -sterol","δ8,14 -sterol","δ8,14-sterol"],"pathways":[{"name":"Steroid biosynthesis","kegg_map_id":"00100"}],"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":"2011-05-24T20:03:33.000Z","updated_at":"2011-05-27T14:55:59.000Z","name":"Lanosterol 14-alpha demethylase","uniprot_id":"P10614","uniprot_name":"CP51_YEAST","enzyme":true,"transporter":false,"gene_name":"ERG11","num_residues":530,"molecular_weight":"60719.80078","theoretical_pi":"8.95","general_function":"Involved in iron ion binding","specific_function":"Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol","reactions":[{"id":2295,"direction":"\u003e","locations":"Membrane; Single-pass membrane protein","altext":"Obtusifoliol + 3 O(2) + 3 NADPH = 4-alpha-methyl-5-alpha-ergosta-8,14,24(28)-trien-3-beta-ol + formate + 3 NADP(+) + 4 H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":14387,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006897","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"21-41","pdb_id":null,"cellular_location":"Membrane; Single-pass membrane protein","genbank_gene_id":"M18109","genbank_protein_id":"170946","gene_card_id":"ERG11","chromosome_location":"chromosome 8","locus":"YHR007C","synonyms":["CYPLI","Cytochrome P450 51","Cytochrome P450-14DM","Cytochrome P450-LIA1","Sterol 14-alpha demethylase"],"enzyme_classes":["1.14.13.70"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" heme binding"},{"category":"Function","description":" electron carrier activity"},{"category":"Function","description":" monooxygenase 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":"Function","description":" transition metal ion binding"},{"category":"Function","description":" iron ion binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"p450","identifier":"PF00067"}],"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}],"gene_sequence":"ATGTCTGCTACCAAGTCAATCGTTGGAGAGGCATTGGAATACGTAAACATTGGTTTAAGTCATTTCTTGGCTTTACCATTGGCCCAAAGAATCTCTTTGATCATAATAATTCCTTTCATTTACAATATTGTATGGCAATTACTATATTCTTTGAGAAAGGACCGTCCACCTCTAGTGTTTTACTGGATTCCATGGGTCGGTAGTGCTGTTGTGTACGGTATGAAGCCATACGAGTTTTTCGAAGAATGTCAAAAGAAATACGGTGATATTTTTTCATTCGTTTTGTTAGGAAGAGTCATGACTGTGTATTTAGGACCAAAGGGTCACGAATTTGTCTTCAACGCTAAGTTGGCAGATGTTTCAGCAGAAGCTGCTTACGCTCATTTGACTACTCCAGTTTTCGGTAAAGGTGTTATTTACGATTGTCCAAATTCTAGATTGATGGAGCAAAAGAAGTTTGTTAAGGGTGCTCTAACCAAAGAAGCCTTCAAGAGCTACGTTCCATTGATTGCTGAAGAAGTGTACAAGTACTTCAGAGACTCCAAAAACTTCCGTTTGAATGAAAGAACTACTGGTACTATTGACGTGATGGTTACTCAACCTGAAATGACTATTTTCACCGCTTCAAGATCATTATTGGGTAAGGAAATGAGAGCAAAATTGGATACCGATTTTGCTTACTTGTACAGTGATTTGGATAAGGGTTTCACTCCAATCAACTTCGTCTTCCCTAACTTACCATTGGAACACTATAGAAAGAGAGATCACGCTCAAAAGGCTATCTCCGGTACTTACATGTCTTTGATTAAGGAAAGAAGAAAGAACAACGACATTCAAGACAGAGATTTGATCGATTCCTTGATGAAGAACTCTACCTACAAGGATGGTGTGAAGATGACTGATCAAGAAATCGCTAACTTGTTAATTGGTGTCTTAATGGGTGGTCAACATACTTCTGCTGCCACTTCTGCTTGGATTTTGTTGCACTTGGCTGAAAGACCAGATGTCCAACAAGAATTGTACGAAGAACAAATGCGTGTTTTGGATGGTGGTAAGAAGGAATTGACCTACGATTTATTACAAGAAATGCCATTGTTGAACCAAACTATTAAGGAAACTCTAAGAATGCACCATCCATTGCACTCTTTGTTCCGTAAGGTTATGAAAGATATGCACGTTCCAAACACTTCTTATGTCATCCCAGCAGGTTATCACGTTTTGGTTTCTCCAGGTTACACTCATTTAAGAGACGAATACTTCCCTAATGCTCACCAATTCAACATTCACCGTTGGAACAAAGATTCTGCCTCCTCTTATTCCGTCGGTGAAGAAGTCGATTACGGTTTCGGTGCCATTTCTAAGGGTGTCAGCTCTCCATACTTACCTTTCGGTGGTGGTAGACACAGATGTATCGGTGAACACTTTGCTTACTGTCAGCTAGGTGTTCTAATGTCCATTTTTATCAGAACATTAAAATGGCATTACCCAGAGGGTAAGACCGTTCCACCTCCTGACTTTACATCTATGGTTACTCTTCCAACCGGTCCAGCCAAGATCATCTGGGAAAAGAGAAATCCAGAACAAAAGATCTAA","protein_sequence":"MSATKSIVGEALEYVNIGLSHFLALPLAQRISLIIIIPFIYNIVWQLLYSLRKDRPPLVFYWIPWVGSAVVYGMKPYEFFEECQKKYGDIFSFVLLGRVMTVYLGPKGHEFVFNAKLADVSAEAAYAHLTTPVFGKGVIYDCPNSRLMEQKKFVKGALTKEAFKSYVPLIAEEVYKYFRDSKNFRLNERTTGTIDVMVTQPEMTIFTASRSLLGKEMRAKLDTDFAYLYSDLDKGFTPINFVFPNLPLEHYRKRDHAQKAISGTYMSLIKERRKNNDIQDRDLIDSLMKNSTYKDGVKMTDQEIANLLIGVLMGGQHTSAATSAWILLHLAERPDVQQELYEEQMRVLDGGKKELTYDLLQEMPLLNQTIKETLRMHHPLHSLFRKVMKDMHVPNTSYVIPAGYHVLVSPGYTHLRDEYFPNAHQFNIHRWNKDSASSYSVGEEVDYGFGAISKGVSSPYLPFGGGRHRCIGEHFAYCQLGVLMSIFIRTLKWHYPEGKTVPPPDFTSMVTLPTGPAKIIWEKRNPEQKI"}]}