Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04597"

PredicateValue (sorted: default)
rdfs:label
"[4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE]"
rdf:type
drugbank:description
" experimental This compound belongs to the pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring. Pyranodioxins Organic Compounds Heterocyclic Compounds Pyranodioxins 1,3-Dioxanes Oxanes Secondary Alcohols Hemiacetals 1,2-Diols Carboxylic Acids Acetals Polyamines Enolates meta-dioxane oxane 1,2-diol polyol secondary alcohol hemiacetal enolate polyamine ether acetal carboxylic acid derivative carboxylic acid alcohol logP -2.1 ALOGPS logS 0.28 ALOGPS Water Solubility 4.76e+02 g/l ALOGPS logP -1.5 ChemAxon IUPAC Name (2S,4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid ChemAxon Traditional IUPAC Name (2S,4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid ChemAxon Molecular Weight 250.2027 ChemAxon Monoisotopic Weight 250.068867424 ChemAxon SMILES C[C@@]1(OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O1)C(O)=O ChemAxon Molecular Formula C9H14O8 ChemAxon InChI InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5+,6-,7-,9+/m1/s1 ChemAxon InChIKey InChIKey=QVVFNJUJKXWFAU-BDIBXJNUSA-N ChemAxon Polar Surface Area (PSA) 125.68 ChemAxon Refractivity 49.45 ChemAxon Polarizability 22.23 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 8 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 2.86 ChemAxon pKa (strongest basic) -3.7 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 4369553 PubChem Substance 46506431 PDB 46M BE0003288 Xanthan lyase Bacillus sp. (strain GL1) unknown Xanthan lyase Involved in catalytic activity xly None 4.74 99314.0 Bacillus sp. (strain GL1) GenBank Gene Database AB037178 UniProtKB Q9AQS0 UniProt Accession XANLY_BACGL >Xanthan lyase MLSGILIAALLMTLWGGWQPDIAHASDEFDALRIKWATLLTGGPALDPADSDIAARTDKL AQDANDYWEDMDLSSSRTYIWYALRGNGTSDNVNAVYERLRTMALAATTVGSSLYGNADL KEDILDALDWLYVNSYNSTRSRSAYNWWHWQLGIPMSLNDIAVLLYDDISAARMATYMDT IDYFTPSIGLTGANRAWQAIVVGVRAVIVKDAVKLAAARNGLSGTGIFPYATGGDGFYAD GSFVQHTTFAYTGGYGSSVLETTANLMYLLSGSTWSVSDPNQSNVWQWIYEAYRPLLYKG AMMDMVRGREISRSYAQDHAVGHGIVASIVRLAQFAPAPHAAAFKQIAKRVIQEDTFSSF YGDVSTDTIRLAKAIVDDPSIAPAAAPNLYKQYAAMDRAVLQRPGFALGLALYSTRISSY ESINSENGRGWYTGAGATYLYNQDLAQYSEDYWPTVDAYRIPGTTVASGTPIASGTGTSS WTGGVSLAGQYGASGMDLSYGAYNLSARKSWFMFDDEIVALGSGISSTAGIPIETVVDNR KLNGAGDNAWTANGAALSTGLGVAQTLTGVNWVHLAGNTADGSDIGYYFPGGATLQTKRE ARTGTWKQINNRPATPSTAVTRNYETMWIDHGTNPSGASYGYVLLPNKTSAQVGAYAADP AIEIVVNTSGVQSVKEKTLGLVGANFWTDTTQTADLITSNKKASVMTREIADERLEASVS DPTQANNGTIAIELARSAEGYSADPGITVTQLAPTIKFTVNVNGAKGKSFHASFQLGEDT SGPVDPGEPELPSVIVDNADSAGVTRTGTWKTASTQTDRYGANYLHDDNAGKGTKSVTFT PNLPIAGSYEVYLMWPAHFNREDAVQVDVGHASGTTRTAVDQRSGGGVWHSIGTYEFLAG SGGSVTIRNDALGSPDGYVVADAVKFVAVG >2793 bp ATGCTGTCGGGCATCCTGATCGCTGCGCTGCTGATGACGCTGTGGGGAGGCTGGCAGCCG GACATTGCGCACGCATCGGATGAATTCGACGCGCTTCGAATCAAGTGGGCGACGCTGCTG ACCGGAGGCCCGGCGCTGGATCCGGCGGATTCGGATATCGCAGCGCGGACGGACAAGCTT GCCCAAGATGCGAACGACTATTGGGAAGACATGGACTTGTCCTCTTCGCGCACGTACATC TGGTACGCGCTCCGCGGCAACGGCACTTCGGACAATGTAAACGCGGTTTACGAGCGTCTG CGGACGATGGCTTTGGCGGCGACGACCGTCGGCTCCAGCCTTTACGGCAACGCGGACCTC AAGGAAGACATTCTGGATGCGCTCGACTGGCTGTACGTCAACAGCTACAACAGCACGCGA AGCCGCTCCGCGTACAACTGGTGGCATTGGCAGCTTGGCATCCCGATGAGCCTGAACGAC ATCGCGGTGCTGCTGTACGACGATATAAGCGCAGCGCGGATGGCGACCTATATGGACACC ATCGATTATTTTACGCCTTCGATCGGACTCACGGGCGCGAACCGGGCGTGGCAGGCGATC GTCGTCGGCGTGCGCGCGGTCATCGTCAAGGACGCGGTCAAGCTGGCCGCGGCGCGCAAC GGCTTGTCCGGCACAGGCATATTCCCGTACGCGACGGGCGGCGATGGCTTCTATGCGGAC GGCTCCTTCGTCCAGCATACCACTTTCGCCTATACCGGCGGATACGGCAGCTCCGTGCTG GAAACGACGGCCAACCTGATGTACTTGCTGTCGGGCTCTACCTGGTCGGTATCCGATCCG AACCAGAGCAACGTTTGGCAGTGGATCTACGAAGCCTATCGGCCGCTGCTGTACAAGGGC GCGATGATGGACATGGTGCGCGGACGGGAGATTTCCCGCAGCTACGCGCAGGATCATGCG GTCGGGCACGGCATCGTCGCGAGCATCGTGCGGCTTGCCCAGTTCGCGCCGGCGCCGCAT GCAGCCGCCTTCAAACAGATTGCGAAGCGCGTGATTCAGGAAGATACGTTCAGCAGCTTC TACGGCGACGTATCGACCGACACGATCCGCCTTGCCAAGGCGATCGTTGACGATCCGTCC ATAGCGCCCGCCGCGGCGCCGAATCTTTACAAGCAGTACGCTGCGATGGACCGGGCCGTC CTGCAGCGGCCCGGTTTCGCTCTGGGACTCGCCTTGTATTCGACGCGGATCAGCAGCTAC GAATCGATCAATAGCGAGAACGGGCGGGGCTGGTATACGGGAGCGGGCGCGACCTATCTG TACAATCAGGACCTTGCGCAATACAGCGAGGACTATTGGCCGACCGTGGATGCCTACCGG ATCCCGGGGACGACGGTCGCCTCTGGGACGCCGATCGCGAGCGGGACCGGCACGTCGAGC TGGACGGGCGGCGTATCGCTTGCGGGACAGTACGGCGCCAGCGGCATGGATCTCTCCTAC GGCGCTTACAATCTGAGCGCGCGCAAATCCTGGTTCATGTTCGACGACGAGATCGTCGCG CTCGGATCAGGCATATCCAGCACGGCAGGCATCCCGATCGAGACCGTCGTCGACAATCGC AAGCTGAACGGGGCCGGCGACAATGCCTGGACGGCGAACGGAGCGGCGCTGTCCACCGGT CTGGGCGTCGCGCAGACGCTGACCGGCGTCAATTGGGTGCACCTGGCGGGCAATACCGCC GACGGCTCGGACATCGGCTACTACTTTCCTGGAGGCGCGACGCTGCAGACGAAGCGGGAA GCGCGCACGGGTACCTGGAAGCAGATCAACAATCGCCCGGCCACGCCCTCTACCGCCGTC ACGCGCAACTACGAGACGATGTGGATCGACCACGGCACGAATCCTTCGGGTGCGTCGTAC GGGTATGTGCTGCTGCCGAACAAGACGAGCGCGCAGGTCGGCGCCTACGCCGCCGATCCC GCGATCGAGATCGTCGTCAATACGAGCGGCGTACAGTCGGTCAAGGAAAAAACGCTCGGA CTGGTCGGCGCGAACTTCTGGACGGATACGACGCAGACGGCCGATCTGATCACGTCGAAC AAAAAGGCGTCGGTGATGACCCGCGAGATCGCGGACGAGCGCCTCGAGGCGTCGGTGTCC GATCCGACGCAAGCGAACAACGGCACCATCGCGATCGAACTGGCGCGCTCGGCCGAGGGC TACAGCGCGGATCCGGGCATTACGGTCACGCAGCTCGCTCCGACGATCAAATTCACCGTT AACGTGAACGGCGCGAAGGGCAAATCGTTTCACGCGTCGTTCCAGCTGGGCGAAGATACG AGCGGACCGGTCGATCCGGGAGAGCCCGAACTGCCGTCCGTCATCGTGGACAATGCCGAT TCGGCGGGTGTGACCAGGACGGGGACGTGGAAAACTGCCAGCACGCAGACGGACCGTTAC GGCGCGAATTATTTGCATGACGACAACGCCGGCAAAGGAACGAAAAGCGTGACTTTTACG CCGAATCTGCCGATCGCCGGCTCATATGAGGTGTATCTGATGTGGCCGGCCCATTTTAAT CGGGAGGATGCGGTGCAGGTCGATGTCGGCCATGCATCGGGGACGACGCGCACGGCGGTC GATCAGCGTTCGGGCGGCGGGGTCTGGCATTCGATCGGGACATACGAATTTTTGGCCGGA TCGGGCGGCAGCGTCACGATCCGCAACGACGCGCTCGGGTCTCCCGACGGTTACGTCGTC GCCGACGCGGTCAAGTTCGTGGCCGTCGGCTAG PF02278 Lyase_8 PF08124 Lyase_8_N component extracellular region function catalytic activity function lyase activity function carbon-oxygen lyase activity function carbon-oxygen lyase activity, acting on polysaccharides "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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