1.0 2016-09-30 22:41:35 UTC 2020-05-11 20:38:40 UTC BMDB0001138 BMDB01138 N-Acetylglutamic acid (S)-2-(Acetylamino)pentanedioic acid Ac-glu-OH Acetyl-L-glutamic acid Acetylglutamic acid L-N-Acetylglutamic acid N-Ac-glu-OH N-ACETYL-L-glutamATE N-Acetylglutamic acid (S)-2-(Acetylamino)pentanedioate Acetyl-L-glutamate Acetylglutamate L-N-Acetylglutamate N-Acetylglutamate N-Acetylglutamic acid semialdehyde N-Acetylglutamate, potassium salt, (L)-isomer N-Acetylglutamate, (D)-isomer N-Acetylglutamate, calcium salt (1:1), (L)-isomer N-Acetylglutamate, dipotassium salt, (L)-isomer N-Acetylglutamate, disodium salt, (L)-isomer N-Acetylglutamate, calcium salt, (L)-isomer N-Acetylglutamate, magnesium salt, (L)-isomer Sodium N-acetylglutamate N-Acetylglutamate, (DL)-isomer N-Acetylglutamate, monosodium salt, (L)-isomer N-Acetyl-L-glutaminic acid alpha-(N-Acetyl)-L-glutamic acid Α-(N-acetyl)-L-glutamic acid NAcGlu N-Acetyl-L-glutamic acid C7H11NO5 189.1659 189.063722467 (2S)-2-acetamidopentanedioic acid N-acetyl-L-glutamate 1188-37-0 CC(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 RFMMMVDNIPUKGG-YFKPBYRVSA-N belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamic acid and derivatives Carbonyl compounds Carboximidic acids Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Glutamic acid or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds N-acetyl-L-amino acid N-acyl-L-glutamic acid Solid melting_point 199 - 201 °C water_solubility 52 mg/mL logp -0.67 ALOGPS logs -1.01 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 3.43 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac (2S)-2-acetamidopentanedioic acid ChemAxon average_mass 189.1659 ChemAxon mono_mass 189.063722467 ChemAxon smiles CC(=O)N[C@@H](CCC(O)=O)C(O)=O ChemAxon formula C7H11NO5 ChemAxon inchi InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 ChemAxon inchikey RFMMMVDNIPUKGG-YFKPBYRVSA-N ChemAxon polar_surface_area 103.7 ChemAxon refractivity 40.73 ChemAxon polarizability 17.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 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::NmrTwoD 2036 Specdb::MsIr 1095 Specdb::MsIr 1096 Specdb::MsIr 1097 Specdb::CMs 1432 Specdb::CMs 1433 Specdb::CMs 2636 Specdb::CMs 30636 Specdb::CMs 30637 Specdb::CMs 31710 Specdb::CMs 31711 Specdb::CMs 31712 Specdb::CMs 135578 Specdb::CMs 143312 Specdb::MsMs 46128 Specdb::MsMs 46129 Specdb::MsMs 46130 Specdb::MsMs 146340 Specdb::MsMs 146341 Specdb::MsMs 146342 Specdb::MsMs 437122 Specdb::MsMs 437123 Specdb::MsMs 437124 Specdb::MsMs 437125 Specdb::MsMs 437126 Specdb::MsMs 440105 Specdb::MsMs 445551 Specdb::MsMs 445552 Specdb::MsMs 445553 Specdb::MsMs 445554 Specdb::MsMs 445555 Specdb::MsMs 451941 Specdb::MsMs 2236646 Specdb::MsMs 2236742 Specdb::MsMs 2238767 Specdb::MsMs 2238802 Specdb::MsMs 2240784 Specdb::MsMs 2240927 Specdb::MsMs 2242807 Specdb::NmrOneD 4750 Specdb::NmrOneD 4751 Specdb::NmrOneD 146590 Specdb::NmrOneD 146591 Specdb::NmrOneD 146592 Specdb::NmrOneD 146593 Specdb::NmrOneD 146594 Specdb::NmrOneD 146595 Specdb::NmrOneD 146596 Specdb::NmrOneD 146597 Specdb::NmrOneD 146598 Specdb::NmrOneD 146599 Specdb::NmrOneD 146600 Specdb::NmrOneD 146601 Specdb::NmrOneD 146602 Specdb::NmrOneD 146603 Specdb::NmrOneD 146604 Specdb::NmrOneD 146605 Specdb::NmrOneD 146606 Specdb::NmrOneD 146607 Specdb::NmrOneD 146608 Specdb::NmrOneD 146609 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 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 C00624 FDB031019 DB04075 64077 17533 70914 ACETYL-GLU N-Acetylglutamic_acid hang, Xiaolin; Yang, Qiyong; Sun, Yuesheng. Preparation of N-acetyl-L-glutamic acid. Huaxue Shijie (2002), 43(7), 363-365.