1.0 2016-09-30 22:39:16 UTC 2020-05-21 16:28:36 UTC BMDB0000965 BMDB00965 Hypotaurine Hypotaurine belongs to the class of organic compounds known as sulfinic acids. Sulfinic acids are compounds containing a sulfinic acid functional group, with the general structure RS(=O)OH (R = organyl, not H). Hypotaurine is possibly soluble (in water) and a very strong basic compound (based on its pKa). Hypotaurine exists in all living species, ranging from bacteria to humans. Hypotaurine participates in a number of enzymatic reactions, within cattle. In particular, Hypotaurine can be biosynthesized from cysteamine through the action of the enzyme 2-aminoethanethiol dioxygenase. In addition, Hypotaurine can be biosynthesized from 3-sulfinoalanine; which is catalyzed by the enzyme cysteine sulfinic acid decarboxylase. In cattle, hypotaurine is involved in the metabolic pathway called the taurine and hypotaurine metabolism pathway. 2-Aminoethanesulfinic acid 2-Aminoethanesulfinate 2-Aminoethanesulphinate 2-Aminoethanesulphinic acid 2-Amino-ethanesulfinate 2-Amino-ethanesulfinic acid 2-Aminoethylsulfinate 2-Aminoethylsulfinic acid Cystaminesulfinate Cystaminesulfinic acid C2H7NO2S 109.147 109.019749163 2-aminoethane-1-sulfinic acid hypotaurine 300-84-5 NCCS(O)=O InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N belongs to the class of organic compounds known as sulfinic acids. Sulfinic acids are compounds containing a sulfinic acid functional group, with the general structure RS(=O)OH (R = organyl, not H). Organic compounds Organic acids and derivatives Sulfinic acids and derivatives Sulfinic acids Sulfinic acids Alkanesulfinic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Organosulfur compounds Aliphatic acyclic compound Alkanesulfinic acid Alkanesulfinic acid or derivatives Amine Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfinic acid Aliphatic acyclic compounds aminosulfinic acid Solid logp -1.19 ALOGPS logs -0.45 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 1.68 ChemAxon pka_strongest_basic 9.64 ChemAxon iupac 2-aminoethane-1-sulfinic acid ChemAxon average_mass 109.147 ChemAxon mono_mass 109.019749163 ChemAxon smiles NCCS(O)=O ChemAxon formula C2H7NO2S ChemAxon inchi InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) ChemAxon inchikey VVIUBCNYACGLLV-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 23.16 ChemAxon polarizability 10.16 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Taurine and Hypotaurine Metabolism SMP0087214 Specdb::NmrTwoD 1567 Specdb::MsIr 1005 Specdb::MsIr 1006 Specdb::MsIr 1007 Specdb::MsMs 1369 Specdb::MsMs 1370 Specdb::MsMs 1371 Specdb::MsMs 4991 Specdb::MsMs 4992 Specdb::MsMs 4993 Specdb::MsMs 4994 Specdb::MsMs 4995 Specdb::MsMs 4996 Specdb::MsMs 4997 Specdb::MsMs 4998 Specdb::MsMs 4999 Specdb::MsMs 5000 Specdb::MsMs 5001 Specdb::MsMs 5002 Specdb::MsMs 5003 Specdb::MsMs 5004 Specdb::MsMs 5005 Specdb::MsMs 5006 Specdb::MsMs 5007 Specdb::MsMs 5008 Specdb::MsMs 5012 Specdb::MsMs 5013 Specdb::MsMs 182907 Specdb::MsMs 182908 Specdb::CMs 686 Specdb::CMs 687 Specdb::CMs 688 Specdb::CMs 1280 Specdb::CMs 3386 Specdb::CMs 30036 Specdb::CMs 30192 Specdb::CMs 30573 Specdb::CMs 30762 Specdb::CMs 31272 Specdb::CMs 162575 Specdb::NmrOneD 1626 Specdb::NmrOneD 5144 Specdb::NmrOneD 5145 Specdb::NmrOneD 21082 Specdb::NmrOneD 21083 Specdb::NmrOneD 21084 Specdb::NmrOneD 21085 Specdb::NmrOneD 21086 Specdb::NmrOneD 21087 Specdb::NmrOneD 21088 Specdb::NmrOneD 21089 Specdb::NmrOneD 21090 Specdb::NmrOneD 21091 Specdb::NmrOneD 21092 Specdb::NmrOneD 21093 Specdb::NmrOneD 21094 Specdb::NmrOneD 21095 Specdb::NmrOneD 21096 Specdb::NmrOneD 21097 Specdb::NmrOneD 21098 Specdb::NmrOneD 21099 Specdb::NmrOneD 21100 Specdb::NmrOneD 21101 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 Liver Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 Placenta 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 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 FDB022342 96959 C00519 107812 16668 35230 Hypotaurine 281 HYPOTAURINE Owen, Terence C.; Wilbraham, A. C. Convenient preparation and characterization of hypotaurine. Journal of the Chemical Society (1965), (Jan.), 826-7. BMDBP00862 Glutamate decarboxylase 1 Q0VCA1 GAD1 Enzyme BMDBP01376 Acidic amino acid decarboxylase GADL1 A6QM00 GADL1 Enzyme BMDBP02898 2-aminoethanethiol dioxygenase G3MZK0 ADO Enzyme