{"ymdb_id":"YMDB16132","created_at":"2016-09-12T18:13:26.000Z","updated_at":"2016-10-17T22:34:41.000Z","name":"Heme O","cas":null,"state":"Solid","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":"3-[(11Z,16Z)-20-(2-carboxyethyl)-15-ethenyl-10-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-5,9,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-4-yl]propanoic acid","traditional_iupac":"3-[(11Z,16Z)-20-(2-carboxyethyl)-15-ethenyl-10-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-5,9,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-4-yl]propanoic acid","logp":"11.255499194980327","pka":"4.219636877692448","alogps_solubility":"5.68e-03 g/l","alogps_logp":"6.21","alogps_logs":"-5.17","acceptor_count":"7","donor_count":"3","rotatable_bond_count":"17","polar_surface_area":"130.47","refractivity":"237.91180000000014","polarizability":"96.53235600362063","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"2.8440550275880407","pka_strongest_acidic":"3.6516039731931675","bioavailability":"0","number_of_rings":"6","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[{"name":"Oxidative phosphorylation","kegg_map_id":"00190"},{"name":"Porphyrin Metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[]}