1.0 2020-05-06 19:44:48 UTC 2020-05-07 14:45:29 UTC BMDB0109739 Maleimide 2,5-Pyrroledione Maleic imide Maleimide Maleimide, potassium, silver (+1) (2:1:1) salt Maleimide, silver (+1) salt C4H3NO2 97.073 97.016378341 5-hydroxy-2H-pyrrol-2-one maleimide 541-59-3 OC1=NC(=O)C=C1 InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7) PEEHTFAAVSWFBL-UHFFFAOYSA-N belongs to the class of organic compounds known as maleimides. Maleimides are compounds containing a 2,5-pyrroledione moiety. Organic compounds Organoheterocyclic compounds Pyrrolidines Pyrrolidones Maleimides Azacyclic compounds Carbonyl compounds Dicarboximides Hydrocarbon derivatives N-unsubstituted carboxylic acid imides Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrrolines Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Dicarboximide Hydrocarbon derivative Maleimide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrroline Aliphatic heteromonocyclic compounds a small molecule dicarboximide maleimides logp -0.12 ALOGPS logs -0.59 ALOGPS logp -0.27 ChemAxon pka_strongest_acidic 5.3 ChemAxon pka_strongest_basic -2 ChemAxon iupac 5-hydroxy-2H-pyrrol-2-one ChemAxon average_mass 97.073 ChemAxon mono_mass 97.016378341 ChemAxon smiles OC1=NC(=O)C=C1 ChemAxon formula C4H3NO2 ChemAxon inchi InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7) ChemAxon inchikey PEEHTFAAVSWFBL-UHFFFAOYSA-N ChemAxon polar_surface_area 49.66 ChemAxon refractivity 23.67 ChemAxon polarizability 8.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 67668 Specdb::MsMs 67669 Specdb::MsMs 67670 Specdb::MsMs 125538 Specdb::MsMs 125539 Specdb::MsMs 125540 Specdb::MsMs 3443014 Specdb::MsMs 3443015 Specdb::MsMs 3443016 Specdb::MsMs 3443017 Specdb::MsMs 3443018 Specdb::MsMs 3443019 Specdb::CMs 111245 Specdb::CMs 124424 Specdb::CMs 932332 Specdb::CMs 932333 Specdb::NmrOneD 232658 Specdb::NmrOneD 232659 Specdb::NmrOneD 232660 Specdb::NmrOneD 232661 Specdb::NmrOneD 232662 Specdb::NmrOneD 232663 Specdb::NmrOneD 232664 Specdb::NmrOneD 232665 Specdb::NmrOneD 232666 Specdb::NmrOneD 232667 Specdb::NmrOneD 232668 Specdb::NmrOneD 232669 Specdb::NmrOneD 232670 Specdb::NmrOneD 232671 Specdb::NmrOneD 232672 Specdb::NmrOneD 232673 Specdb::NmrOneD 232674 Specdb::NmrOneD 232675 Specdb::NmrOneD 232676 Specdb::NmrOneD 232677 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 10471 16072 C07272 MALEIMIDE Maleimide C00027734