{"ymdb_id":"YMDB00467","created_at":"2011-05-29T18:20:11.000Z","updated_at":"2016-09-08T18:35:30.000Z","name":"trans-hexacos-2-enoyl-CoA","cas":null,"state":null,"melting_point":null,"description":"trans-Hexacos-2-enoyl-CoA is a coenzyme A derivative of trans-hexacos-2-enoate. Fatty acids must be activated with CoA before any chemical modification can be applied. Also fatty acid metabolic intermediates will also exists as CoA derivatives until the CoA is enzymatically cleaved. The fatty acid group is linked to the terminal thoil moiety of CoA.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"lipid particle;endoplasmic reticulum;peroxisome","synthesis_reference":null,"chebi_id":"52975","hmdb_id":null,"kegg_id":null,"pubchem_id":"44176398","cs_id":"23107094","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(2E)-hexacos-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid","traditional_iupac":"(E)-2-hexacosenoyl-coa","logp":"5.275152851852041","pka":"1.9001207347761846","alogps_solubility":"2.75e-02 g/l","alogps_logp":"4.90","alogps_logs":"-4.62","acceptor_count":"17","donor_count":"9","rotatable_bond_count":"43","polar_surface_area":"363.6299999999999","refractivity":"283.7512","polarizability":"122.33410985987254","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"4.006053268556904","pka_strongest_acidic":"0.8209787813398228","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["(2E)-hexacos-2-enoyl-CoA","(E)-2-hexacosenoyl-CoA","(E)-hexacos-2-enoyl-CoA","trans-2-hexacosenoyl-coenzyme A","trans-hexacos-2-enoyl-CoA","trans-hexacos-2-enoyl-coenzyme A"],"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":"2011-05-24T21:41:52.000Z","updated_at":"2011-07-22T17:53:57.000Z","name":"Acyl-coenzyme A oxidase","uniprot_id":"P13711","uniprot_name":"ACOX_YEAST","enzyme":true,"transporter":false,"gene_name":"POX1","num_residues":748,"molecular_weight":"84041.39844","theoretical_pi":"8.7","general_function":"Involved in acyl-CoA dehydrogenase activity","specific_function":"Acyl-CoA + O(2) = trans-2,3-dehydroacyl-CoA + H(2)O(2)","reactions":[{"id":1249,"direction":"\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1250,"direction":"\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1251,"direction":"\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1252,"direction":"\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1253,"direction":"\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1254,"direction":"\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2392,"direction":"\u003e","locations":"Peroxisome","altext":"Acyl-CoA + O(2) = trans-2,3-dehydroacyl-CoA + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Peroxisome","genbank_gene_id":"M27515","genbank_protein_id":"172217","gene_card_id":"POX1","chromosome_location":"chromosome 7","locus":"YGL205W","synonyms":["Acyl-CoA oxidase"],"enzyme_classes":["1.3.3.6"],"go_classes":[{"category":"Component","description":" organelle"},{"category":"Component","description":" membrane-bounded organelle"},{"category":"Component","description":" intracellular membrane-bounded organelle"},{"category":"Component","description":" microbody"},{"category":"Component","description":" peroxisome"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-CH group of donors, oxygen as acceptor"},{"category":"Function","description":" acyl-CoA oxidase activity"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-CH group of donors"},{"category":"Function","description":" binding"},{"category":"Function","description":" acyl-CoA dehydrogenase activity"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" FAD or FADH2 binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" carboxylic acid metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" fatty acid catabolic process"},{"category":"Process","description":" fatty acid beta-oxidation"},{"category":"Process","description":" monocarboxylic acid metabolic process"},{"category":"Process","description":" fatty acid metabolic process"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" organic acid metabolic process"},{"category":"Process","description":" oxoacid metabolic process"}],"pfams":[{"name":"ACOX","identifier":"PF01756"},{"name":"Acyl-CoA_dh_M","identifier":"PF02770"}],"pathways":[{"name":"Fatty acid metabolism","kegg_map_id":"00071"},{"name":"alpha-Linolenic acid metabolism","kegg_map_id":"00592"},{"name":"Biosynthesis of unsaturated fatty 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Converts trans-2-enoyl-CoA via D-3- hydroxyacyl-CoA to 3-ketoacyl-CoA","reactions":[{"id":1168,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1169,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1170,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1171,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1172,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1173,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1174,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1175,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1176,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1177,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1178,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1179,"direction":"\u003c\u003e","locations":"peroxisome","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2642,"direction":"\u003e","locations":"Peroxisome","altext":"(3R)-3-hydroxyacyl-CoA = (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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11","locus":"YKR009C","synonyms":["HDE","Multifunctional beta-oxidation protein","MFP","2-enoyl-CoA hydratase","(3R)-3-hydroxyacyl-CoA dehydrogenase"],"enzyme_classes":["4.2.1.119","1.1.1.36"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"MaoC_dehydratas","identifier":"PF01575"},{"name":"adh_short","identifier":"PF00106"}],"pathways":[{"name":"Biosynthesis of unsaturated fatty 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