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PredicateValue (sorted: none)
owl:sameAs
?:EXPT00750
rdf:type
ns1:drugs
rdfs:label
"1-Beta-Ribofuranosyl-1,3-Diazepinone"
ns1:description
" experimental This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether). Glycosylamines Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pentoses Ureides Tetrahydrofurans Oxolanes Secondary Alcohols Tertiary Amines 1,2-Diols Primary Alcohols Ethers Enamines Polyamines pentose monosaccharide ureide monosaccharide tetrahydrofuran oxolane tertiary amine 1,2-diol secondary alcohol primary alcohol enamine polyamine ether organonitrogen compound amine alcohol logP -1.4 ALOGPS logS -0.12 ALOGPS Water Solubility 1.83e+02 g/l ALOGPS logP -2 ChemAxon IUPAC Name 1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3-dihydro-1H-1,3-diazepin-2-one ChemAxon Traditional IUPAC Name 1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-1,3-diazepin-2-one ChemAxon Molecular Weight 242.2286 ChemAxon Monoisotopic Weight 242.090271568 ChemAxon SMILES OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=CC=CNC1=O ChemAxon Molecular Formula C10H14N2O5 ChemAxon InChI InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8+,9+/m0/s1 ChemAxon InChIKey InChIKey=MEPCJRCEYSZBDO-RBXMUDONSA-N ChemAxon Polar Surface Area (PSA) 102.26 ChemAxon Refractivity 57.26 ChemAxon Polarizability 22.73 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 10.29 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936597 PubChem Substance 46505407 PDB BRD BE0002443 Cytidine deaminase Human unknown Cytidine deaminase Involved in zinc ion binding This enzyme scavenge exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis CDA 1p36.2-p35 Cytoplasmic None 6.95 16185.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:1712 GenAtlas CDA GenBank Gene Database L27943 UniProtKB P32320 UniProt Accession CDD_HUMAN Cytidine aminohydrolase EC 3.5.4.5 >Cytidine deaminase MAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIFKGCNIENACY PLGICAERTAIQKAVSEGYKDFRAIAIASDMQDDFISPCGACRQVMREFGTNWPVYMTKP DGTYIVMTVQELLPSSFGPEDLQKTQ >441 bp ATGGCCCAGAAGCGTCCTGCCTGCACCCTGAAGCCTGAGTGTGTCCAGCAGCTGCTGGTT TGCTCCCAGGAGGCCAAGAAGTCAGCCTACTGCCCCTACAGTCACTTTCCTGTGGGGGCT GCCCTGCTCACCCAGGAGGGGAGAATCTTCAAAGGGTGCAACATAGAAAATGCCTGCTAC CCGCTGGGCATCTGTGCTGAACGGACCGCTATCCAGAAGGCCGTCTCAGAAGGGTACAAG GATTTCAGGGCAATTGCTATCGCCAGTGACATGCAAGATGATTTTATCTCTCCATGTGGG GCCTGCAGGCAAGTCATGAGAGAGTTTGGCACCAACTGGCCCGTGTACATGACCAAGCCG GATGGTACGTATATTGTCATGACGGTCCAGGAGCTGCTGCCCTCCTCCTTTGGGCCTGAG GACCTGCAGAAGACTCAGTGA PF00383 dCMP_cyt_deam_1 function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function ion binding function cation binding function transition metal ion binding function zinc ion binding function binding function catalytic activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines function cytidine deaminase activity process pyrimidine ribonucleoside metabolism process cytidine metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process process nucleoside metabolism process metabolism process cellular metabolism process pyrimidine nucleoside metabolism BE0002443 Cytidine deaminase Human unknown Cytidine deaminase Involved in zinc ion binding This enzyme scavenge exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis CDA 1p36.2-p35 Cytoplasmic None 6.95 16185.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:1712 GenAtlas CDA GenBank Gene Database L27943 UniProtKB P32320 UniProt Accession CDD_HUMAN Cytidine aminohydrolase EC 3.5.4.5 >Cytidine deaminase MAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIFKGCNIENACY PLGICAERTAIQKAVSEGYKDFRAIAIASDMQDDFISPCGACRQVMREFGTNWPVYMTKP DGTYIVMTVQELLPSSFGPEDLQKTQ >441 bp ATGGCCCAGAAGCGTCCTGCCTGCACCCTGAAGCCTGAGTGTGTCCAGCAGCTGCTGGTT TGCTCCCAGGAGGCCAAGAAGTCAGCCTACTGCCCCTACAGTCACTTTCCTGTGGGGGCT GCCCTGCTCACCCAGGAGGGGAGAATCTTCAAAGGGTGCAACATAGAAAATGCCTGCTAC CCGCTGGGCATCTGTGCTGAACGGACCGCTATCCAGAAGGCCGTCTCAGAAGGGTACAAG GATTTCAGGGCAATTGCTATCGCCAGTGACATGCAAGATGATTTTATCTCTCCATGTGGG GCCTGCAGGCAAGTCATGAGAGAGTTTGGCACCAACTGGCCCGTGTACATGACCAAGCCG GATGGTACGTATATTGTCATGACGGTCCAGGAGCTGCTGCCCTCCTCCTTTGGGCCTGAG GACCTGCAGAAGACTCAGTGA PF00383 dCMP_cyt_deam_1 function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function ion binding function cation binding function transition metal ion binding function zinc ion binding function binding function catalytic activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines function cytidine deaminase activity process pyrimidine ribonucleoside metabolism process cytidine metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process process nucleoside metabolism process metabolism process cellular metabolism process pyrimidine nucleoside metabolism unknown unknown "

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