1.0 2020-05-06 19:45:15 UTC 2020-05-07 14:45:34 UTC BMDB0109747 Oxamide 1-Carbamoylformimidic acid Diaminoglyoxal Oxalamide Oxalic acid diamide Oxamimidic acid 1-Carbamoylformimidate Oxalate diamide Oxamimidate C2H4N2O2 88.0654 88.027277382 ethanediamide oxamide 471-46-5 NC(=O)C(N)=O InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6) YIKSCQDJHCMVMK-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid or derivatives Carbonyl group Carboxamide group Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Aliphatic acyclic compounds dicarboxylic acid diamide logp -2.10 ALOGPS logs 0.18 ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 13.41 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac ethanediamide ChemAxon average_mass 88.0654 ChemAxon mono_mass 88.027277382 ChemAxon smiles NC(=O)C(N)=O ChemAxon formula C2H4N2O2 ChemAxon inchi InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6) ChemAxon inchikey YIKSCQDJHCMVMK-UHFFFAOYSA-N ChemAxon polar_surface_area 86.18 ChemAxon refractivity 18.08 ChemAxon polarizability 7.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 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 Specdb::CMs 1015 Specdb::CMs 1030 Mammary Gland 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 10113 48248 Oxamide