Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08255"

Predicate	Value (sorted: default)
rdfs:label	"(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic Compounds Heterocyclic Compounds Oxanes Thiazolines Dithioacetals Secondary Alcohols Imidothioesters 1,2-Diols Ethers Primary Alcohols Polyamines meta-thiazoline thioacetal imidothioester 1,2-diol secondary alcohol ether primary alcohol polyamine alcohol organonitrogen compound logP -0.2 ALOGPS logS -1.6 ALOGPS Water Solubility 6.23e+00 g/l ALOGPS logP -0.22 ChemAxon IUPAC Name (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol ChemAxon Traditional IUPAC Name (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol ChemAxon Molecular Weight 247.311 ChemAxon Monoisotopic Weight 247.087828727 ChemAxon SMILES [H][C@]12O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(CCC)S2 ChemAxon Molecular Formula C10H17NO4S ChemAxon InChI InChI=1S/C10H17NO4S/c1-2-3-6-11-7-9(14)8(13)5(4-12)15-10(7)16-6/h5,7-10,12-14H,2-4H2,1H3/t5-,7-,8-,9-,10-/m1/s1 ChemAxon InChIKey InChIKey=QWOPEBCGKASVQP-QXOHVQIXSA-N ChemAxon Polar Surface Area (PSA) 82.28 ChemAxon Refractivity 59.53 ChemAxon Polarizability 25.24 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 12.81 ChemAxon pKa (strongest basic) 2.38 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 11507040 PubChem Substance 99444726 ChemSpider 9681837 PDB NB1 BE0004258 O-GlcNAcase BT_4395 Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482) # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown O-GlcNAcase BT_4395 Involved in beta-N-acetylhexosaminidase activity Biological function unknown. Capable of hydrolyzing the glycosidic link of O-GlcNAcylated proteins BT_4395 None 7.0 84484.6 Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482) GenBank Gene Database AE015928 GenBank Protein Database 29337303 UniProtKB Q89ZI2 UniProt Accession OGA_BACTN Beta-hexosaminidase Beta-N-acetylhexosaminidase GH84 Hexosaminidase B N-acetyl-beta-glucosaminidase >O-GlcNAcase BT_4395 MKNNKIYLLGACLLCAVTTFAQNVSLQPPPQQLIVQNKTIDLPAVYQLNGGEEANPHAVK VLKELLSGKQSSKKGMLISIGEKGDKSVRKYSRQIPDHKEGYYLSVNEKEIVLAGNDERG TYYALQTFAQLLKDGKLPEVEIKDYPSVRYRGVVEGFYGTPWSHQARLSQLKFYGKNKMN TYIYGPKDDPYHSAPNWRLPYPDKEAAQLQELVAVANENEVDFVWAIHPGQDIKWNKEDR DLLLAKFEKMYQLGVRSFAVFFDDISGEGTNPQKQAELLNYIDEKFAQVKPDINQLVMCP TEYNKSWSNPNGNYLTTLGDKLNPSIQIMWTGDRVISDITRDGISWINERIKRPAYIWWN FPVSDYVRDHLLLGPVYGNDTTIAKEMSGFVTNPMEHAESSKIAIYSVASYAWNPAKYDT WQTWKDAIRTILPSAAEELECFAMHNSDLGPNGHGYRREESMDIQPAAERFLKAFKEGKN YDKADFETLQYTFERMKESADILLMNTENKPLIVEITPWVHQFKLTAEMGEEVLKMVEGR NESYFLRKYNHVKALQQQMFYIDQTSNQNPYQPGVKTATRVIKPLIDRTFATVVKFFNQK FNAHLDATTDYMPHKMISNVEQIKNLPLQVKANRVLISPANEVVKWAAGNSVEIELDAIY PGENIQINFGKDAPCTWGRLEISTDGKEWKTVDLKQKESRLSAGLQKAPVKFVRFTNVSD EEQQVYLRQFVLTIEKK >618 bp TTGGTATCTACCAGTACGCACGACGATGCTTTTGACTTCGACTTTGGTTACACTGGTAAG CTTCAGTTCTTGGTAGCCACTGTAGATGCAAATAGTACCTATTACACTAAAGACCCGAAT GGTATTGAATGTGATAACGACGGAAGCAGTTCATCTTTAACTCCGTTCACTCACCCGACA ATCAGTAACTTAACAATCGTTGGAACCGTTAATGGTAAGGTTGCACAATCTGCAATGGGT GATGGTAAATCCATGAAATCTTGTGCCAACTTCCGTAGAAACTGCCAATTTACTTTGGTG AACAGTATTCTTTACGGATATCCTACCGGTATCTTGTGTGAAACCACTAACAGCTATGTT TTCAAAAACAATGTTGTAAATGGTGTTAGTACTACATTTTCAGGTATCACAGCTGACGCG ACTAATACTGCTGCTGCAAGTGCTGAGGCTATTGGGCTGACTTCTCCGTGGGGTGGATAT ACAGGTTTGATGCCTAATGCATCTCCAGCCAATGCAGGTGCAGATTTTAGTGAATTGGAT AGTTGGTTTACGACTACTTCTTACAGAGGTGCTGTTGGTGGACGTTCAAACTGGTTAACT CAAGCGTGGGTAAAATAA PF07555 Hyaluronidase_2 "

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

The resource does not appear as an object

Context graph