{"ymdb_id":"YMDB00609","created_at":"2011-05-29T18:35:42.000Z","updated_at":"2016-09-12T20:56:45.000Z","name":"3-dehydro-4-methylzymosterol","cas":null,"state":"Solid","melting_point":null,"description":"3-Dehydro-4-methylzymosterol is involved in steroid biosynthesis. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"50593","hmdb_id":null,"kegg_id":"C15816","pubchem_id":"23724597","cs_id":"21865766","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-4578","iupac":"(2S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-one","traditional_iupac":"3-keto-4-methylzymosterol","logp":"7.414138804666666","pka":null,"alogps_solubility":"5.64e-04 g/l","alogps_logp":"7.22","alogps_logs":"-5.85","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"17.07","refractivity":"124.74629999999998","polarizability":"50.82519846041149","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.412274411747466","pka_strongest_acidic":"19.826726067146463","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(5alpha)-4-methylcholesta-8,24-dien-3-one","3-Keto-4-methylzymosterol"],"pathways":[{"name":"Steroid biosynthesis","kegg_map_id":"00100"},{"name":"Cholesterol biosynthesis and metabolism CE(14:0)","kegg_map_id":null},{"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(16:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(18:0)","kegg_map_id":null}],"growth_conditions":[],"references":[{"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":"2011-05-24T20:59:15.000Z","updated_at":"2011-07-22T17:54:20.000Z","name":"3-keto-steroid reductase","uniprot_id":"Q12452","uniprot_name":"ERG27_YEAST","enzyme":true,"transporter":false,"gene_name":"ERG27","num_residues":347,"molecular_weight":"39724.39844","theoretical_pi":"8.64","general_function":"Involved in binding","specific_function":"Responsible for the reduction of the keto group on the C-3 of sterols. Also facilitates the association of ERG7 with lipid particles preventing its digestion in the endoplasmic reticulum and the lipid particles","reactions":[{"id":1354,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1355,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2354,"direction":"\u003e","locations":"Endoplasmic reticulum membrane; Peripheral membrane protein. Lipid droplet","altext":"4-alpha-methyl-5-alpha-cholest-7-en-3-beta-ol + NADP(+) = 4-alpha-methyl-5-alpha-cholest-7-en-3-one + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":14391,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006902","source":"Smpdb"},{"id":14407,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006918","source":"Smpdb"},{"id":14408,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006923","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Endoplasmic reticulum membrane; Peripheral membrane protein. Lipid droplet","genbank_gene_id":"U53876","genbank_protein_id":"1256850","gene_card_id":"ERG27","chromosome_location":"chromosome 12","locus":"YLR100W","synonyms":[],"enzyme_classes":["1.1.1.270"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"}],"pfams":[],"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":"ATGAACAGGAAAGTAGCTATCGTAACGGGTACTAATAGTAATCTTGGTCTGAACATTGTGTTCCGTCTGATTGAAACTGAGGACACCAATGTCAGATTGACCATTGTGGTGACTTCTAGAACGCTTCCTCGAGTGCAGGAGGTGATTAACCAGATTAAAGATTTTTACAACAAATCAGGCCGTGTAGAGGATTTGGAAATAGACTTTGATTATCTGTTGGTGGACTTCACCAACATGGTGAGTGTCTTGAACGCATATTACGACATCAACAAAAAGTACAGGGCGATAAACTACCTTTTCGTGAATGCTGCGCAAGGTATCTTTGACGGTATAGATTGGATCGGAGCGGTCAAGGAGGTTTTCACCAATCCATTGGAGGCAGTGACAAATCCGACATACAAGATACAACTGGTGGGCGTCAAGTCTAAAGATGACATGGGGCTTATTTTCCAGGCCAATGTGTTTGGTCCGTACTACTTTATCAGTAAAATTCTGCCTCAATTGACCAGGGGAAAGGCTTATATTGTTTGGATTTCGAGTATTATGTCCGATCCTAAGTATCTTTCGTTGAACGATATTGAACTACTAAAGACAAATGCCTCTTATGAGGGCTCCAAGCGTTTAGTTGATTTACTGCATTTGGCCACCTACAAAGACTTGAAAAAGCTGGGCATAAATCAGTATGTAGTTCAACCGGGCATATTTACAAGCCATTCCTTCTCCGAATATTTGAATTTTTTCACCTATTTCGGCATGCTATGCTTGTTCTATTTGGCCAGGCTGTTGGGGTCTCCATGGCACAATATTGATGGTTATAAAGCTGCCAATGCCCCAGTATACGTAACTAGATTGGCCAATCCAAACTTTGAGAAACAAGACGTAAAATACGGTTCTGCTACCTCTAGGGATGGTATGCCATATATCAAGACGCAGGAAATAGACCCTACTGGAATGTCTGATGTCTTCGCTTATATACAGAAGAAGAAACTGGAATGGGACGAGAAACTGAAAGATCAAATTGTTGAAACTAGAACCCCCATTTAA","protein_sequence":"MNRKVAIVTGTNSNLGLNIVFRLIETEDTNVRLTIVVTSRTLPRVQEVINQIKDFYNKSGRVEDLEIDFDYLLVDFTNMVSVLNAYYDINKKYRAINYLFVNAAQGIFDGIDWIGAVKEVFTNPLEAVTNPTYKIQLVGVKSKDDMGLIFQANVFGPYYFISKILPQLTRGKAYIVWISSIMSDPKYLSLNDIELLKTNASYEGSKRLVDLLHLATYKDLKKLGINQYVVQPGIFTSHSFSEYLNFFTYFGMLCLFYLARLLGSPWHNIDGYKAANAPVYVTRLANPNFEKQDVKYGSATSRDGMPYIKTQEIDPTGMSDVFAYIQKKKLEWDEKLKDQIVETRTPI"},{"created_at":"2011-05-27T02:38:20.000Z","updated_at":"2011-07-22T17:54:20.000Z","name":"Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating","uniprot_id":"P53199","uniprot_name":"ERG26_YEAST","enzyme":true,"transporter":false,"gene_name":"ERG26","num_residues":349,"molecular_weight":"38706.10156","theoretical_pi":"6.67","general_function":"Involved in 3-beta-hydroxy-delta5-steroid dehydrogenase activity","specific_function":"3-beta-hydroxy-4-beta-methyl-5-alpha-cholest- 7-ene-4-alpha-carboxylate + NAD(P)(+) = 4-alpha-methyl-5-alpha- cholest-7-en-3-one + CO(2) + NAD(P)H","reactions":[{"id":1352,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1353,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2682,"direction":"\u003e","locations":"Endoplasmic reticulum membrane; Peripheral membrane protein","altext":"3-beta-hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate + NAD(P)(+) = 4-alpha-methyl-5-alpha-cholest-7-en-3-one + CO(2) + NAD(P)H.","export":false,"pw_reaction_id":null,"source":null},{"id":14405,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006917","source":"Smpdb"},{"id":14406,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006922","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Endoplasmic reticulum membrane; Peripheral membrane protein","genbank_gene_id":"AY693026","genbank_protein_id":"51013503","gene_card_id":"ERG26","chromosome_location":"chromosome 7","locus":"YGL001C","synonyms":[],"enzyme_classes":["1.1.1.170"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" steroid dehydrogenase activity"},{"category":"Function","description":" steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" 3-beta-hydroxy-delta5-steroid dehydrogenase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" primary metabolic process"},{"category":"Process","description":" lipid metabolic process"},{"category":"Process","description":" steroid metabolic process"},{"category":"Process","description":" steroid biosynthetic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"3Beta_HSD","identifier":"PF01073"}],"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":"ATGTCAAAGATAGATTCAGTTTTAATTATCGGTGGTTCTGGTTTTCTTGGATTGCACTTAATTCAGCAATTTTTTGATATTAATCCTAAGCCAGACATCCACATTTTTGATGTTAGAGATCTCCCTGAAAAACTTTCAAAACAGTTTACTTTTAATGTAGACGACATAAAATTTCATAAGGGTGATTTAACATCACCTGATGATATGGAAAACGCAATTAACGAAAGTAAAGCAAATGTTGTTGTTCATTGTGCTTCTCCAATGCATGGTCAAAATCCAGATATTTATGACATAGTGAATGTTAAGGGAACCCGTAACGTGATAGATATGTGCAAGAAATGTGGCGTTAATATACTTGTATATACTTCCTCTGCTGGTGTTATTTTTAATGGGCAAGATGTGCACAATGCAGACGAAACCTGGCCAATCCCAGAAGTTCCTATGGATGCGTACAATGAGACTAAAGCTATCGCCGAAGATATGGTCTTGAAGGCGAATGATCCAAGCAGTGATTTCTATACTGTTGCTCTTCGTCCAGCTGGTATTTTTGGCCCAGGTGATAGGCAATTAGTACCTGGTCTAAGACAGGTTGCGAAATTGGGGCAGTCGAAGTTCCAAATTGGTGATAATAACAATCTATTTGATTGGACTTATGCTGGAAATGTTGCTGACGCGCATGTGTTAGCTGCACAGAAACTTCTCGATCCAAAAACAAGAACTGCTGTCTCGGGTGAAACTTTTTTCATTACCAATGATACCCCCACCTATTTTTGGGCCTTGGCCCGTACTGTGTGGAAGGCAGATGGTCATATTGATAAACATGTTATTGTTTTGAAAAGGCCAGTTGCAATTTGTGCAGGTTATCTTTCAGAATGGGTATCCAAGATGCTGGGTAAAGAGCCAGGTTTGACTCCATTCAGAGTCAAGATTGTGTGTGCATACCGTTATCACAACATTGCTAAGGCCAAAAAGTTGCTAGGCTACACACCAAGAGTTGGTATTGAAGAAGGAATTAACAAAACGTTGGCCTGGATGGACGAAGGTTTGTAA","protein_sequence":"MSKIDSVLIIGGSGFLGLHLIQQFFDINPKPDIHIFDVRDLPEKLSKQFTFNVDDIKFHKGDLTSPDDMENAINESKANVVVHCASPMHGQNPDIYDIVNVKGTRNVIDMCKKCGVNILVYTSSAGVIFNGQDVHNADETWPIPEVPMDAYNETKAIAEDMVLKANDPSSDFYTVALRPAGIFGPGDRQLVPGLRQVAKLGQSKFQIGDNNNLFDWTYAGNVADAHVLAAQKLLDPKTRTAVSGETFFITNDTPTYFWALARTVWKADGHIDKHVIVLKRPVAICAGYLSEWVSKMLGKEPGLTPFRVKIVCAYRYHNIAKAKKLLGYTPRVGIEEGINKTLAWMDEGL"}]}