1.0 2020-03-03 19:38:22 UTC 2020-05-05 18:38:49 UTC BMDB0064059 BMDB64059 Serylleucine L-Ser-L-leu Serinyl-leucine SL L-Seryl-L-leucine N-L-Seryl-L-leucine N-Serylleucine S-L Dipeptide SL Dipeptide Ser-leu Serine leucine dipeptide Serine-leucine dipeptide Serinylleucine Seryl-leucine Serylleucine C9H18N2O4 218.253 218.126657068 (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanoic acid (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanoic acid 6665-16-3 CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(O)=O InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1 NFDYGNFETJVMSE-BQBZGAKWSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Leucine and derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols Secondary carboxylic acid amides Serine and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Leucine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary aliphatic amine Primary amine Secondary carboxylic acid amide Serine or derivatives Aliphatic acyclic compounds dipeptide logp -2.60 ALOGPS logs -0.56 ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.77 ChemAxon pka_strongest_basic 7.85 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanoic acid ChemAxon average_mass 218.253 ChemAxon mono_mass 218.126657068 ChemAxon smiles CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(O)=O ChemAxon formula C9H18N2O4 ChemAxon inchi InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1 ChemAxon inchikey NFDYGNFETJVMSE-BQBZGAKWSA-N ChemAxon polar_surface_area 112.65 ChemAxon refractivity 53.01 ChemAxon polarizability 22.32 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 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 Specdb::CMs 32751 Specdb::CMs 50308 Specdb::CMs 137963 Specdb::CMs 145697 Specdb::MsMs 421519 Specdb::MsMs 421520 Specdb::MsMs 421521 Specdb::MsMs 455251 Specdb::MsMs 455252 Specdb::MsMs 455253 Specdb::MsMs 2719041 Specdb::MsMs 2719042 Specdb::MsMs 2719043 Specdb::MsMs 2963388 Specdb::MsMs 2963389 Specdb::MsMs 2963390 Specdb::NmrOneD 107318 Specdb::NmrOneD 107319 Specdb::NmrOneD 107320 Specdb::NmrOneD 107321 Specdb::NmrOneD 107322 Specdb::NmrOneD 107323 Specdb::NmrOneD 107324 Specdb::NmrOneD 107325 Specdb::NmrOneD 107326 Specdb::NmrOneD 107327 Specdb::NmrOneD 107328 Specdb::NmrOneD 107329 Specdb::NmrOneD 107330 Specdb::NmrOneD 107331 Specdb::NmrOneD 107332 Specdb::NmrOneD 107333 Specdb::NmrOneD 107334 Specdb::NmrOneD 107335 Specdb::NmrOneD 107336 Specdb::NmrOneD 107337 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 5378727 7015694 FDB112051 74815