{"ymdb_id":"YMDB00525","created_at":"2011-05-29T18:26:44.000Z","updated_at":"2016-09-12T20:56:44.000Z","name":"pimeloyl-CoA","cas":"18907-20-5","state":"Solid","melting_point":null,"description":"Pimeloyl-CoA is a coenzyme A derivative of pimelic acid. Derivatives of pimelic acid are involved in the biosynthesis of the amino acid lysine.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"lipid particle;endoplasmic reticulum;cytoplasm","synthesis_reference":null,"chebi_id":"15504","hmdb_id":null,"kegg_id":"C01063","pubchem_id":"3082140","cs_id":"24785541","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"7-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-7-oxoheptanoic acid","traditional_iupac":"pimeloyl-coa","logp":"-4.723177583640181","pka":"1.8983140778838035","alogps_solubility":"3.19e+00 g/l","alogps_logp":"-0.17","alogps_logs":"-2.46","acceptor_count":"19","donor_count":"10","rotatable_bond_count":"26","polar_surface_area":"400.9299999999999","refractivity":"196.90430000000003","polarizability":"84.0483779968182","formal_charge":"0","physiological_charge":"-5","pka_strongest_basic":"3.844532486666487","pka_strongest_acidic":"0.8208143790047551","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["6-Carboxyhexanoyl-CoA","Coenzyme A, S-(hydrogen heptanedioate)","Pimeloyl-CoA","Pimeloyl-coenzyme A","Pimelyl-CoA","S-(7-hydroxy-7-oxoheptanoyl)-CoA","S-(7-hydroxy-7-oxoheptanoyl)coenzyme A"],"pathways":[{"name":"Biotin metabolism","kegg_map_id":"00780"}],"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":[]}