1.0 2016-09-30 23:04:37 UTC 2020-05-11 20:49:18 UTC BMDB0003431 BMDB03431 L-Histidinol L-Histidinol, also known as histidol or HSO, belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. L-Histidinol is possibly soluble (in water) and a very strong basic compound (based on its pKa). L-Histidinol exists in all living species, ranging from bacteria to humans. 4-[(S)-2-Amino-3-hydroxypropyl]imidazole (S)-beta-amino-1H-Imidazole-4-propanol Histidinol HSO Imidazole C-4(5) deriv. 4 Histidol (2S)-2-Amino-3-(1H-imidazol-4-yl)propan-1-ol (S)-Histidinol (betaS)-beta-Amino-1H-imidazole-5-propanol (βS)-β-Amino-1H-imidazole-5-propanol L-Histidinol beta-Amino-1H-imidazole-5-propanol β-Amino-1H-imidazole-5-propanol C6H11N3O 141.171 141.090211989 (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol HSO 4836-52-6 N[C@H](CO)CC1=CNC=N1 InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aralkylamines 1,2-aminoalcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Monoalkylamines Organopnictogen compounds Primary alcohols 1,2-aminoalcohol Alcohol Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organopnictogen compound Primary alcohol Primary aliphatic amine Primary amine Aromatic heteromonocyclic compounds amino alcohol imidazoles Solid logp -1.10 ALOGPS logs -0.00 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 13.45 ChemAxon pka_strongest_basic 9.41 ChemAxon iupac (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol ChemAxon average_mass 141.171 ChemAxon mono_mass 141.090211989 ChemAxon smiles N[C@H](CO)CC1=CNC=N1 ChemAxon formula C6H11N3O ChemAxon inchi InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ChemAxon inchikey ZQISRDCJNBUVMM-YFKPBYRVSA-N ChemAxon polar_surface_area 74.93 ChemAxon refractivity 38.19 ChemAxon polarizability 14.74 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1965 Specdb::MsIr 1966 Specdb::MsIr 1967 Specdb::NmrTwoD 1905 Specdb::CMs 847 Specdb::CMs 848 Specdb::CMs 849 Specdb::CMs 850 Specdb::CMs 3340 Specdb::CMs 30204 Specdb::CMs 30310 Specdb::CMs 30597 Specdb::CMs 30792 Specdb::CMs 38600 Specdb::CMs 163783 Specdb::MsMs 2307 Specdb::MsMs 2308 Specdb::MsMs 2309 Specdb::MsMs 5947 Specdb::MsMs 5948 Specdb::MsMs 5949 Specdb::MsMs 5950 Specdb::MsMs 5951 Specdb::MsMs 5956 Specdb::MsMs 179958 Specdb::MsMs 179959 Specdb::MsMs 179960 Specdb::MsMs 182292 Specdb::MsMs 182293 Specdb::MsMs 182294 Specdb::MsMs 446315 Specdb::MsMs 446316 Specdb::MsMs 446317 Specdb::MsMs 446318 Specdb::MsMs 446319 Specdb::MsMs 448034 Specdb::MsMs 2227347 Specdb::MsMs 2227387 Specdb::MsMs 2229672 Specdb::MsMs 2231983 Specdb::NmrOneD 1970 Specdb::NmrOneD 4949 Specdb::NmrOneD 4950 Specdb::NmrOneD 21882 Specdb::NmrOneD 21883 Specdb::NmrOneD 21884 Specdb::NmrOneD 21885 Specdb::NmrOneD 21886 Specdb::NmrOneD 21887 Specdb::NmrOneD 21888 Specdb::NmrOneD 21889 Specdb::NmrOneD 21890 Specdb::NmrOneD 21891 Specdb::NmrOneD 21892 Specdb::NmrOneD 21893 Specdb::NmrOneD 21894 Specdb::NmrOneD 21895 Specdb::NmrOneD 21896 Specdb::NmrOneD 21897 Specdb::NmrOneD 21898 Specdb::NmrOneD 21899 Specdb::NmrOneD 21900 Specdb::NmrOneD 21901 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023173 144886 C00860 165271 16255 C00007479 HISTIDINOL 3267 Beltra, A. P.; Bonete, P.; Gonzalez-Garcia, J.; Garcia-Garcia, V.; Montiel, V. Electrochemical synthesis of L-histidinol using solvated electrons. Journal of the Electrochemical Society (2005), 152(4), D65-D68. Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828