2.0 2015-09-08 17:50:02 -0600 2015-09-17 15:41:59 -0600 ECMDB24197 M2MDB006314 L-histidinol-phosphate L-Histidinol-phosphoric acid C12H9ClO 204.65 204.0341926 5-chloro-2-phenylphenol 5-chloro-2-phenylphenol OC1=CC(Cl)=CC=C1C1=CC=CC=C1 InChI=1S/C12H9ClO/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,14H LMUKIFZFZRTUIY-UHFFFAOYSA-N logp 4.00 ALOGPS logs -3.41 ALOGPS solubility 7.89e-02 g/l ALOGPS logp 3.92 ChemAxon pka_strongest_acidic 8.47 ChemAxon pka_strongest_basic -6.4 ChemAxon iupac 5-chloro-2-phenylphenol ChemAxon average_mass 204.65 ChemAxon mono_mass 204.0341926 ChemAxon smiles OC1=CC(Cl)=CC=C1C1=CC=CC=C1 ChemAxon formula C12H9ClO ChemAxon inchi InChI=1S/C12H9ClO/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,14H ChemAxon inchikey LMUKIFZFZRTUIY-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 57.98 ChemAxon polarizability 21.15 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Secondary Metabolites: Histidine biosynthesis Histidine biosynthesis starts with a product of PRPP biosynthesis pathway, phosphoribosyl pyrophosphate which interacts with a hydrogen ion through an ATP phosphoribosyltransferase resulting in an pyrophosphate and a phosphoribosyl-ATP. This compound interacts with water through a phosphoribosyl-AMP cyclohydrolase / phosphoribosyl-ATP pyrophosphatase resulting in the release of pyrophosphate, hydrogen ion and a phosphoribosyl-AMP. This enzyme proceeds to interact with phosphoribosyl-AMP and water resulting in a 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide. This compound is then isomerized by a N-(5'-phospho-L-ribosyl-formimino)-5-amino-1-(5'-phosphoribosyl)-4-imidazolecarboxamide isomerase resulting in a PhosphoribosylformiminoAICAR-phosphate. This compound reacts with L-glutamine through an imidazole glycerol phosphate synthase resulting in a L-glutamic acid, hydrogen ion, 5-aminoimidazole-4-carboxamide and a D-erythro-imidazole-glycerol-phosphate. This compound reacts with a imidazoleglycerol-phosphate dehydratase / histidinol-phosphatase, dehydrating the compound and resulting in a imidazole acetol-phosphate. This compound interacts with L-glutamic acid through a histidinol-phosphate aminotransferase, releasing oxoglutaric acid and L-histidinol-phosphate. The latter compound interacts with water and a imidazoleglycerol-phosphate dehydratase / histidinol-phosphatase resulting in L-histidinol and phosphate. L-histidinol interacts with a NAD-driven histidinol dehydrogenase resulting in a Histidinal. This in turn reacts with water in a NAD driven histidinal dehydrogenase resulting in L-Histidine. L-Histidine then represses ATP phosphoribosyltransferase, regulation its own biosynthesis. PW000984 Metabolic histidine biosynthesis Histidine biosynthesis starts with a product of PRPP biosynthesis pathway, phosphoribosyl pyrophosphate which interacts with a hydrogen ion through an ATP phosphoribosyltransferase resulting in an pyrophosphate and a phosphoribosyl-ATP. This compound interacts with water through a phosphoribosyl-AMP cyclohydrolase / phosphoribosyl-ATP pyrophosphatase resulting in the release of pyrophosphate, hydrogen ion and a phosphoribosyl-AMP. This enzyme proceeds to interact with phosphoribosyl-AMP and water resulting in a 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide. This compound is then isomerized by a N-(5'-phospho-L-ribosyl-formimino)-5-amino-1-(5'-phosphoribosyl)-4-imidazolecarboxamide isomerase resulting in a PhosphoribosylformiminoAICAR-phosphate. This compound reacts with L-glutamine through an imidazole glycerol phosphate synthase resulting in a L-glutamic acid, hydrogen ion, 5-aminoimidazole-4-carboxamide and a D-erythro-imidazole-glycerol-phosphate. This compound reacts with a imidazoleglycerol-phosphate dehydratase / histidinol-phosphatase, dehydrating the compound and resulting in a imidazole acetol-phosphate. This compound interacts with L-glutamic acid through a histidinol-phosphate aminotransferase, releasing oxoglutaric acid and L-histidinol-phosphate. The latter compound interacts with water and a imidazoleglycerol-phosphate dehydratase / histidinol-phosphatase resulting in L-histidinol and phosphate. L-histidinol interacts with a NAD-driven histidinol dehydrogenase resulting in a Histidinal. This in turn reacts with water in a NAD driven histidinal dehydrogenase resulting in L-Histidine. L-Histidine then represses ATP phosphoribosyltransferase, regulation its own biosynthesis. PW000810 Metabolic Specdb::CMs 1087700 Specdb::NmrOneD 334138 Specdb::NmrOneD 334139 Specdb::NmrOneD 334140 Specdb::NmrOneD 334141 Specdb::NmrOneD 334142 Specdb::NmrOneD 334143 Specdb::NmrOneD 334144 Specdb::NmrOneD 334145 Specdb::NmrOneD 334146 Specdb::NmrOneD 334147 Specdb::NmrOneD 334148 Specdb::NmrOneD 334149 Specdb::NmrOneD 334150 Specdb::NmrOneD 334151 Specdb::NmrOneD 334152 Specdb::NmrOneD 334153 Specdb::NmrOneD 334154 Specdb::NmrOneD 334155 Specdb::NmrOneD 334156 Specdb::NmrOneD 334157 Specdb::MsMs 1297714 Specdb::MsMs 1297715 Specdb::MsMs 1297716 Specdb::MsMs 1412332 Specdb::MsMs 1412333 Specdb::MsMs 1412334 Histidinol-phosphate aminotransferase P06986 HIS8_ECOLI hisC http://ecmdb.ca/proteins/P06986.xml Histidine biosynthesis bifunctional protein hisB P06987 HIS7_ECOLI hisB http://ecmdb.ca/proteins/P06987.xml L-histidinol-phosphate + Water > Phosphate + L-Histidinol PW_R002872 Imidazole acetol-phosphate + L-Glutamic acid + L-Glutamate > Oxoglutaric acid + L-histidinol-phosphate PW_R002871