{"ymdb_id":"YMDB16320","created_at":"2016-09-12T18:35:58.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"4α-carboxy-5α-cholesta-8,24-dien-3β-ol","cas":null,"state":null,"melting_point":null,"description":null,"experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,5S,6S,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)-ene-6-carboxylate","traditional_iupac":"(2S,5S,6S,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)-ene-6-carboxylate","logp":"6.042303698000001","pka":"14.95987356799279","alogps_solubility":"2.97e-03 g/l","alogps_logp":"6.18","alogps_logs":"-5.18","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"60.36","refractivity":"138.12289999999996","polarizability":"52.17509514240519","formal_charge":"-1","physiological_charge":"-1","pka_strongest_basic":"-2.9369127811123397","pka_strongest_acidic":"4.599002345072687","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"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"}],"growth_conditions":[],"references":[],"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; 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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; 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