{"ymdb_id":"YMDB00607","created_at":"2011-05-29T18:35:29.000Z","updated_at":"2016-09-08T18:35:40.000Z","name":"zymosterol intermediate 1c","cas":null,"state":null,"melting_point":null,"description":"Zymosterol is an intermediate in the biosynthesis of both ergosterol, a major constituent of the fungal plasma membrane, and cholesterol, the homologous component in mammalian membranes. Cholesterol and ergosterol share most of their biosythetic pathway, with differences only in the part of the pathway that is downstream of zymosterol. [Biocyc PWY-6074 and PWY-6075]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"52389","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"23107010","foodb_id":null,"wikipedia_link":"Zymosterol","biocyc_id":null,"iupac":"1-[(2S,5S,7S,11R,14R,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-6-yl]ethan-1-one","traditional_iupac":"zymosterol intermediate 1c","logp":"6.371929220666667","pka":"18.548715995244436","alogps_solubility":"1.69e-03 g/l","alogps_logp":"6.08","alogps_logs":"-5.40","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"37.3","refractivity":"130.83689999999996","polarizability":"53.56653363100979","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9006951766169298","pka_strongest_acidic":"14.766691276018094","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"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":"2011-05-27T02:38:20.000Z","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":" catalytic activity"},{"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":"Process","description":" metabolic process"},{"category":"Process","description":" primary metabolic process"},{"category":"Process","description":" lipid metabolic process"},{"category":"Process","description":" steroid metabolic process"},{"category":"Process","description":" steroid biosynthetic 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"},{"created_at":"2011-05-27T03:19:10.000Z","updated_at":"2011-07-22T17:54:21.000Z","name":"C-4 methylsterol oxidase","uniprot_id":"P53045","uniprot_name":"ERG25_YEAST","enzyme":true,"transporter":false,"gene_name":"ERG25","num_residues":309,"molecular_weight":"36478.89844","theoretical_pi":"8.22","general_function":"Involved in iron ion binding","specific_function":"Catalyzes the first step in the removal of the two C-4 methyl groups of 4,4-dimethylzymosterol","reactions":[{"id":1356,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1357,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1358,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1359,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2715,"direction":"\u003e","locations":"Endoplasmic reticulum membrane; Single-pass membrane protein (Probable)","altext":"4,4-dimethyl-5-alpha-cholest-7-en-3-beta-ol + NAD(P)H + O(2) = 4-beta-hydroxymethyl-4-alpha-methyl-5-alpha-cholest-7-en-3-beta-ol + NAD(P)(+) + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":2716,"direction":"\u003e","locations":"Endoplasmic reticulum membrane; Single-pass membrane protein (Probable)","altext":"4-beta-hydroxymethyl-4-alpha-methyl-5-alpha-cholest-7-en-3-beta-ol + NAD(P)H + O(2) = 3-beta-hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde + NAD(P)(+) + 2 H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":2717,"direction":"\u003e","locations":"Endoplasmic reticulum membrane; Single-pass membrane protein (Probable)","altext":"3-beta-hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde + NAD(P)H + O(2) = 3-beta-hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate + NAD(P)(+) + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":14398,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006913","source":"Smpdb"},{"id":14399,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006914","source":"Smpdb"},{"id":14400,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006915","source":"Smpdb"},{"id":14401,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006916","source":"Smpdb"},{"id":14402,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006919","source":"Smpdb"},{"id":14403,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006920","source":"Smpdb"},{"id":14404,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006921","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"56-76","pdb_id":null,"cellular_location":"Endoplasmic reticulum membrane; Single-pass membrane protein (Probable)","genbank_gene_id":"DQ115391","genbank_protein_id":"71064046","gene_card_id":"ERG25","chromosome_location":"chromosome 7","locus":"YGR060W","synonyms":["Methylsterol monooxygenase"],"enzyme_classes":["1.14.13.72"],"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":" 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":" oxoacid metabolic process"},{"category":"Process","description":" carboxylic acid metabolic process"},{"category":"Process","description":" monocarboxylic acid metabolic process"},{"category":"Process","description":" 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"}],"pfams":[{"name":"FA_hydroxylase","identifier":"PF04116"}],"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":"ATGTCTGCCGTTTTCAACAACGCTACCCTTTCAGGTCTAGTCCAAGCAAGCACCTACTCACAAACTTTGCAAAATGTCGCCCATTACCAACCTCAATTGAATTTCATGGAAAAATACTGGGCCGCATGGTACAGTTACATGAACAATGATGTTTTGGCCACCGGTCTAATGTTCTTTTTATTGCATGAATTTATGTATTTCTTTAGATGTTTGCCATGGTTCATCATCGACCAAATTCCATACTTTAGAAGATGGAAGTTACAACCAACTAAGATTCCAAGTGCTAAGGAACAACTATACTGTTTGAAATCCGTTCTTCTATCTCATTTCTTGGTCGAGGCCATCCCTATCTGGACCTTCCACCCAATGTGTGAAAAATTAGGTATTACTGTCGAAGTTCCATTCCCATCTTTGAAAACAATGGCTCTAGAAATTGGTCTATTCTTCGTCTTGGAAGATACATGGCATTACTGGGCTCACCGTCTATTCCACTACGGTGTCTTCTACAAGTACATTCACAAGCAACATCACAGATACGCTGCTCCATTCGGTCTTTCTGCTGAATATGCTCATCCTGCTGAGACTTTGTCTTTGGGTTTTGGTACCGTTGGTATGCCAATTCTTTACGTCATGTACACTGGTAAATTACATTTGTTCACTCTATGTGTATGGATCACCCTAAGATTATTCCAAGCTGTTGACTCTCATTCTGGTTATGACTTCCCATGGTCCTTGAACAAGATCATGCCATTCTGGGCTGGCGCTGAACACCACGATTTGCATCATCACTACTTCATTGGTAACTACGCTTCCTCTTTCAGATGGTGGGATTACTGTCTAGACACTGAATCTGGTCCAGAAGCTAAGGCCTCCAGAGAAGAAAGAATGAAGAAGAGAGCTGAAAACAATGCTCAAAAGAAGACTAACTAA","protein_sequence":"MSAVFNNATLSGLVQASTYSQTLQNVAHYQPQLNFMEKYWAAWYSYMNNDVLATGLMFFLLHEFMYFFRCLPWFIIDQIPYFRRWKLQPTKIPSAKEQLYCLKSVLLSHFLVEAIPIWTFHPMCEKLGITVEVPFPSLKTMALEIGLFFVLEDTWHYWAHRLFHYGVFYKYIHKQHHRYAAPFGLSAEYAHPAETLSLGFGTVGMPILYVMYTGKLHLFTLCVWITLRLFQAVDSHSGYDFPWSLNKIMPFWAGAEHHDLHHHYFIGNYASSFRWWDYCLDTESGPEAKASREERMKKRAENNAQKKTN"}]}