1.0 2020-05-06 19:44:55 UTC 2020-05-07 14:45:31 UTC BMDB0109741 N-Ethylmaleamic acid N-Ethylmaleamate C6H9NO3 143.142 143.058243154 (2E)-3-(ethylcarbamoyl)prop-2-enoic acid (2E)-3-(ethylcarbamoyl)prop-2-enoic acid CCNC(=O)\C=C\C(O)=O InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3+ HBQGCOWNLUOCBU-ONEGZZNKSA-N belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides N-acyl amines Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Straight chain fatty acid Unsaturated fatty acid Aliphatic acyclic compounds logp 0.06 ALOGPS logs -1.51 ALOGPS logp -0.27 ChemAxon pka_strongest_acidic 3.91 ChemAxon pka_strongest_basic -0.6 ChemAxon iupac (2E)-3-(ethylcarbamoyl)prop-2-enoic acid ChemAxon average_mass 143.142 ChemAxon mono_mass 143.058243154 ChemAxon smiles CCNC(=O)\C=C\C(O)=O ChemAxon formula C6H9NO3 ChemAxon inchi InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3+ ChemAxon inchikey HBQGCOWNLUOCBU-ONEGZZNKSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 36.07 ChemAxon polarizability 13.88 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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 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 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 4520310 5369191