1.0 2016-09-30 23:02:11 UTC 2020-05-11 20:40:16 UTC BMDB0002931 BMDB02931 N-Acetylserine Acetylserine N-Acetyl-L-serine (2S)-2-Acetamido-3-hydroxypropanoic acid (2S)-2-Acetamido-3-hydroxypropionic acid (S)-2-Acetamido-3-hydroxypropanoic acid (S)-2-Acetamido-3-hydroxypropionic acid N-Acetylserine C5H9NO4 147.1293 147.053157781 (2S)-2-acetamido-3-hydroxypropanoic acid acetylserine 16354-58-8 CC(=O)N[C@@H](CO)C(O)=O InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1 JJIHLJJYMXLCOY-BYPYZUCNSA-N belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-L-alpha-amino acids Acetamides Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Secondary carboxylic acid amides Serine and derivatives Acetamide Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary carboxylic acid amide Serine or derivatives Aliphatic acyclic compounds N-acetyl-L-amino acid acetyl-L-serine Solid melting_point 207.6 °C logp -1.36 ALOGPS logs -0.24 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.61 ChemAxon pka_strongest_basic -2 ChemAxon iupac (2S)-2-acetamido-3-hydroxypropanoic acid ChemAxon average_mass 147.1293 ChemAxon mono_mass 147.053157781 ChemAxon smiles CC(=O)N[C@@H](CO)C(O)=O ChemAxon formula C5H9NO4 ChemAxon inchi InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1 ChemAxon inchikey JJIHLJJYMXLCOY-BYPYZUCNSA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 31.48 ChemAxon polarizability 13.43 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 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 Specdb::MsIr 1847 Specdb::MsIr 1848 Specdb::MsIr 1849 Specdb::NmrTwoD 1852 Specdb::CMs 1191 Specdb::CMs 13411 Specdb::CMs 31434 Specdb::CMs 38501 Specdb::CMs 161559 Specdb::MsMs 29741 Specdb::MsMs 29742 Specdb::MsMs 29743 Specdb::MsMs 36299 Specdb::MsMs 36300 Specdb::MsMs 36301 Specdb::MsMs 2239946 Specdb::MsMs 2241747 Specdb::MsMs 2242064 Specdb::MsMs 2243823 Specdb::MsMs 2309241 Specdb::MsMs 2309242 Specdb::MsMs 2309243 Specdb::MsMs 2656381 Specdb::MsMs 2656382 Specdb::MsMs 2656383 Specdb::NmrOneD 1917 Specdb::NmrOneD 129118 Specdb::NmrOneD 129119 Specdb::NmrOneD 129120 Specdb::NmrOneD 129121 Specdb::NmrOneD 129122 Specdb::NmrOneD 129123 Specdb::NmrOneD 129124 Specdb::NmrOneD 129125 Specdb::NmrOneD 129126 Specdb::NmrOneD 129127 Specdb::NmrOneD 129128 Specdb::NmrOneD 129129 Specdb::NmrOneD 129130 Specdb::NmrOneD 129131 Specdb::NmrOneD 129132 Specdb::NmrOneD 129133 Specdb::NmrOneD 129134 Specdb::NmrOneD 129135 Specdb::NmrOneD 129136 Specdb::NmrOneD 129137 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 DB02340 FDB000970 58744 65249 45441 O-Acetylserine 308 Tsurumi, Kohti; Yamada, Sakae. L-Serine from D-glucosamine. Tohoku Journal of Experimental Medicine (1955), 62 329-31.