1.0 2010-04-08 22:08:14 UTC 2020-02-24 19:10:56 UTC FDB008762 N-Acetylhistidine Constituent of the tissues of various fish and amphibian subspecies N-Acetylhistidine is found in fishes. N-acetyl-l-histidine N-Acetylhistidine C8H11N3O3 197.1912 197.080041233 2-[(1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)propanoic acid 2-[(1-hydroxyethylidene)amino]-3-(3H-imidazol-4-yl)propanoic acid 2497-02-1 CC(=O)NC(CC1=CNC=N1)C(O)=O InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14) KBOJOGQFRVVWBH-UHFFFAOYSA-N belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Histidine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Acetamides Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Acetamide Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide a small molecule histidine derivative logp -0.62 ALOGPS logs -1.85 ALOGPS solubility 2.81e+00 g/l ALOGPS melting_point Mp 187° (hydrate) logp -1.6 ChemAxon pka_strongest_acidic 3.58 ChemAxon pka_strongest_basic 6.8 ChemAxon iupac 2-[(1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)propanoic acid ChemAxon average_mass 197.1912 ChemAxon mono_mass 197.080041233 ChemAxon smiles CC(=O)NC(CC1=CNC=N1)C(O)=O ChemAxon formula C8H11N3O3 ChemAxon inchi InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14) ChemAxon inchikey KBOJOGQFRVVWBH-UHFFFAOYSA-N ChemAxon polar_surface_area 98.57 ChemAxon refractivity 48.02 ChemAxon polarizability 18.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11303 Specdb::CMs 42725 Specdb::MsMs 109263 Specdb::MsMs 109264 Specdb::MsMs 109265 Specdb::MsMs 176670 Specdb::MsMs 176671 Specdb::MsMs 176672 HMDB32055 16437 #<Reference:0x000055ce32c6e1d8> Fishes Unknown generic Milk (Cow) Type 2 specific