1.0 2019-10-15 20:16:11 UTC 2025-11-19 03:06:40 UTC FDB093613 3-Methylhistidine C7H11N3O2 169.1811 169.085126611 (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid 3,methylhistidine [H][C@](N)(CC1=CN=CN1C)C(O)=O InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 JDHILDINMRGULE-LURJTMIESA-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 Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives L-alpha-amino acids Monoalkylamines Monocarboxylic acids and derivatives N-substituted imidazoles Organic oxides Organopnictogen compounds Alpha-amino acid Amine Amino acid Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxylic acid Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative L-alpha-amino acid Monocarboxylic acid or derivatives N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine L-histidine derivative non-proteinogenic L-alpha-amino acid logp -2.89 ALOGPS logs -1.39 ALOGPS solubility 6.93e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.96 ChemAxon pka_strongest_basic 9.43 ChemAxon iupac (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid ChemAxon average_mass 169.1811 ChemAxon mono_mass 169.085126611 ChemAxon smiles [H][C@](N)(CC1=CN=CN1C)C(O)=O ChemAxon formula C7H11N3O2 ChemAxon inchi InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 ChemAxon inchikey JDHILDINMRGULE-LURJTMIESA-N ChemAxon polar_surface_area 81.14 ChemAxon refractivity 42.96 ChemAxon polarizability 16.58 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Metabolism and Physiological Effects of 3-Methylhistidine SMP0126757 Metabolism and Physiological Effects of N-Acetyl-3-Methylhistidine SMP0126795 Specdb::CMs 3393 Specdb::CMs 37558 Specdb::CMs 138033 Specdb::CMs 145767 Specdb::CMs 1063213 Specdb::CMs 1063215 Specdb::CMs 1063217 Specdb::NmrTwoD 1332 Specdb::MsIr 554 Specdb::MsIr 555 Specdb::MsIr 556 Specdb::MsMs 695 Specdb::MsMs 696 Specdb::MsMs 697 Specdb::MsMs 4089 Specdb::MsMs 4090 Specdb::MsMs 4091 Specdb::MsMs 4092 Specdb::MsMs 4093 Specdb::MsMs 4094 Specdb::MsMs 4095 Specdb::MsMs 180093 Specdb::MsMs 180094 Specdb::MsMs 180095 Specdb::MsMs 182427 Specdb::MsMs 182428 Specdb::MsMs 182429 Specdb::MsMs 438675 Specdb::MsMs 439227 Specdb::MsMs 446560 Specdb::MsMs 446561 Specdb::MsMs 446562 Specdb::MsMs 446563 Specdb::MsMs 446564 Specdb::MsMs 448170 Specdb::MsMs 2236332 Specdb::NmrOneD 1234 Specdb::NmrOneD 1388 Specdb::NmrOneD 144150 Specdb::NmrOneD 144151 Specdb::NmrOneD 144152 Specdb::NmrOneD 144153 Specdb::NmrOneD 144154 Specdb::NmrOneD 144155 Specdb::NmrOneD 144156 Specdb::NmrOneD 144157 Specdb::NmrOneD 144158 Specdb::NmrOneD 144159 Specdb::NmrOneD 144160 Specdb::NmrOneD 144161 Specdb::NmrOneD 144162 Specdb::NmrOneD 144163 Specdb::NmrOneD 144164 Specdb::NmrOneD 144165 Specdb::NmrOneD 144166 Specdb::NmrOneD 144167 Specdb::NmrOneD 144168 Specdb::NmrOneD 144169 Specdb::NmrOneD 166488 HMDB0000479 FOBI:030690 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823