{"ymdb_id":"YMDB00612","created_at":"2011-05-29T18:36:01.000Z","updated_at":"2016-09-08T18:35:41.000Z","name":"zymosterol intermediate 1a","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":"52388","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"23107009","foodb_id":null,"wikipedia_link":"Zymosterol","biocyc_id":null,"iupac":"(2S,5S,7S,11R,14R,15R)-6-(hydroxymethyl)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol","traditional_iupac":"zymosterol intermediate 1a","logp":"5.633502661333333","pka":"15.59369511512546","alogps_solubility":"3.05e-03 g/l","alogps_logp":"5.55","alogps_logs":"-5.13","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"5","polar_surface_area":"40.46","refractivity":"127.50139999999998","polarizability":"52.74668091424375","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.6325899108555157","pka_strongest_acidic":"14.750839275122246","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4a-Hydroxymethyl-5a-cholesta-8,24-dien-3b-ol","4alpha-Hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol","4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol","Zymosterol intermediic acid 1a"],"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":"2011-05-27T03:19:10.000Z","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":" endoplasmic reticulum"},{"category":"Component","description":" organelle"},{"category":"Component","description":" membrane-bounded organelle"},{"category":"Component","description":" intracellular membrane-bounded organelle"},{"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":"Function","description":" catalytic activity"},{"category":"Process","description":" fatty acid metabolic process"},{"category":"Process","description":" cellular 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"},{"category":"Process","description":" monocarboxylic acid metabolic process"},{"category":"Process","description":" 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"}]}