2.02012-08-09 09:25:24 -06002015-06-03 17:21:45 -0600ECMDB21549M2MDB001944L-HistidinalL-histidinal is a member of the chemical class known as Imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. L-histidinal is invovled in Biosynthesis of secondary metabolites, and Histidine metabolism. (KEGG)HistidinalNot AvailableC6H10N3O140.1631140.0823869571-(1H-imidazol-5-yl)-3-oxopropan-2-aminium1-(3H-imidazol-4-yl)-3-oxopropan-2-aminium[NH3+]C(CC1=CN=CN1)C=OInChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1VYOIELONWKIZJS-UHFFFAOYSA-OCytoplasmlogp-1.96logs-0.30solubility8.81e+01 g/llogp-1.5pka_strongest_acidic12.92pka_strongest_basic7.7iupac1-(1H-imidazol-5-yl)-3-oxopropan-2-aminiumaverage_mass140.1631mono_mass140.082386957smiles[NH3+]C(CC1=CN=CN1)C=OformulaC6H10N3OinchiInChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1inchikeyVYOIELONWKIZJS-UHFFFAOYSA-Opolar_surface_area73.39refractivity48.43polarizability14.17rotatable_bond_count3acceptor_count2donor_count2physiological_charge1formal_charge1Specdb::NmrOneD265248Specdb::NmrOneD265249Specdb::NmrOneD265250Specdb::NmrOneD265251Specdb::NmrOneD265252Specdb::NmrOneD265253Specdb::NmrOneD265254Specdb::NmrOneD265255Specdb::NmrOneD265256Specdb::NmrOneD265257Specdb::NmrOneD265258Specdb::NmrOneD265259Specdb::NmrOneD265260Specdb::NmrOneD265261Specdb::NmrOneD265262Specdb::NmrOneD265263Specdb::NmrOneD265264Specdb::NmrOneD265265Specdb::NmrOneD265266Specdb::NmrOneD265267Specdb::MsMs24602Specdb::MsMs24603Specdb::MsMs24604Specdb::MsMs31160Specdb::MsMs31161Specdb::MsMs31162252440653824841C01929Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948.18331064Histidinol dehydrogenaseP06988HISX_ECOLIhisDhttp://ecmdb.ca/proteins/P06988.xmlL-Histidinal + Water + NAD <> L-Histidine + NADH + Hydrogen ionR01163L-Histidinol + NAD <> L-Histidinal + NADH + Hydrogen ionR03012L-Histidinal + Water + NAD <> L-Histidine + NADH + Hydrogen ion