{"ymdb_id":"YMDB16300","created_at":"2016-09-12T18:34:00.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"(2E)-cerotenoyl-CoA","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":"4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-(2-{[2-(hexacos-2-enoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid","traditional_iupac":"4-[({[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-(2-{[2-(hexacos-2-enoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid","logp":"5.537492261523094","pka":"1.8862538653223098","alogps_solubility":"2.47e-02 g/l","alogps_logp":"5.11","alogps_logs":"-4.67","acceptor_count":"19","donor_count":"9","rotatable_bond_count":"43","polar_surface_area":"370.6100000000001","refractivity":"284.79459999999995","polarizability":"122.51101877200824","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"6.412266322548324","pka_strongest_acidic":"0.8191391536460024","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[{"name":"Biosynthesis of unsaturated fatty acids","kegg_map_id":"01040"}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-27T01:48:42.000Z","updated_at":"2011-07-22T17:53:47.000Z","name":"Peroxisomal hydratase-dehydrogenase-epimerase","uniprot_id":"Q02207","uniprot_name":"FOX2_YEAST","enzyme":true,"transporter":false,"gene_name":"FOX2","num_residues":900,"molecular_weight":"98702.39844","theoretical_pi":"9.46","general_function":"Involved in oxidoreductase activity","specific_function":"Second trifunctional enzyme acting on the beta-oxidation pathway for fatty acids, possessing hydratase-dehydrogenase- epimerase activities. 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= (2E)-2-enoyl-CoA + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":2643,"direction":"\u003e","locations":"Peroxisome","altext":"(R)-3-hydroxyacyl-CoA + NAD(+) = 3-oxoacyl-CoA + 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