Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03936"

Predicate	Value (sorted: none)
rdf:type	ns1:drugs
owl:sameAs	?:EXPT02797
ns1:description	" experimental This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Pentose Phosphates Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Monosaccharides Monosaccharide Phosphates Organophosphate Esters Organic Phosphoric Acids Tetrahydrofurans Oxolanes Secondary Alcohols 1,2-Diols Ethers Polyamines monosaccharide phosphate organic phosphate phosphoric acid ester tetrahydrofuran oxolane 1,2-diol secondary alcohol polyamine ether alcohol logP -2.1 ALOGPS logS -0.74 ALOGPS Water Solubility 3.86e+01 g/l ALOGPS logP -2.1 ChemAxon IUPAC Name {[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon Traditional IUPAC Name [(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid ChemAxon Molecular Weight 214.1104 ChemAxon Monoisotopic Weight 214.024239218 ChemAxon SMILES O[C@@H]1CO[C@H](COP(O)(O)=O)[C@H]1O ChemAxon Molecular Formula C5H11O7P ChemAxon InChI InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4-,5+/m1/s1 ChemAxon InChIKey InChIKey=CYZZKTRFOOKUMT-WDCZJNDASA-N ChemAxon Polar Surface Area (PSA) 116.45 ChemAxon Refractivity 39.8 ChemAxon Polarizability 17.37 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 1.23 ChemAxon pKa (strongest basic) -3.5 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 447843 PubChem Substance 46506929 PDB ROB BE0001394 2-dehydro-3-deoxyphosphooctonate aldolase Shigella flexneri # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown 2-dehydro-3-deoxyphosphooctonate aldolase Cell wall/membrane/envelope biogenesis Phosphoenolpyruvate + D-arabinose 5-phosphate + H(2)O = 2-dehydro-3-deoxy-D-octonate 8-phosphate + phosphate kdsA Cytoplasm None 6.79 30833.0 Shigella flexneri GenBank Gene Database AE005674 GenBank Protein Database 24051519 UniProtKB P0A716 UniProt Accession KDSA_SHIFL 3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase EC 2.5.1.55 KDO 8-P synthase KDO-8-phosphate synthetase KDOPS Phospho-2- dehydro-3-deoxyoctonate aldolase >2-dehydro-3-deoxyphosphooctonate aldolase MKQKVVSIGDINVANDLPFVLFGGMNVLESRDLAMRICEHYVTVTQKLGIPYVFKASFDK ANRSSIHSYRGPGLEEGMKIFQELKQTFGVKIITDVHEPSQAQPVADVVDVIQLPAFLAR QTDLVEAMAKTGAVINVKKPQFVSPGQMGNIVDKFKEGGNEKVILCDRGANFGYDNLVVD MLGFSIMKKVSGNSPVIFDVTHALQCRDPFGAASGGRRAQVAELARAGMAVGLAGLFIEA HPDPEHAKCDGPSALPLAKLEPFLKQMKAIDDLVKGFEELDTSK >855 bp ATGAAACAAAAAGTGGTTAGCATTGGCGACATCAACGTAGCAAATGACCTGCCGTTCGTA CTGTTTGGCGGTATGAACGTGCTGGAATCTCGCGATCTGGCGATGCGCATTTGCGAGCAC TACGTAACTGTGACCCAGAAACTGGGTATCCCTTACGTGTTCAAAGCCTCTTTTGACAAA GCCAACCGCTCCTCCATCCACTCTTATCGTGGACCGGGCCTGGAAGAAGGGATGAAAATC TTCCAGGAGTTGAAGCAGACTTTTGGCGTGAAAATTATCACCGACGTTCACGAACCAAGT CAGGCACAGCCCGTTGCTGATGTCGTGGATGTGATTCAGTTGCCGGCGTTTCTTGCTCGC CAGACTGACCTGGTTGAAGCCATGGCGAAAACCGGTGCGGTAATTAACGTCAAGAAACCA CAGTTTGTCAGCCCGGGACAGATGGGTAATATCGTTGATAAATTCAAAGAAGGCGGCAAC GAAAAAGTGATTCTTTGCGATCGTGGTGCTAACTTCGGCTATGACAACCTGGTTGTCGAT ATGCTGGGCTTCAGCATTATGAAGAAAGTGTCTGGTAACTCGCCGGTGATTTTCGACGTG ACCCACGCACTGCAATGCCGCGATCCGTTTGGCGCAGCTTCCGGTGGTCGTCGTGCTCAG GTGGCTGAGCTGGCACGAGCCGGTATGGCGGTAGGTCTGGCGGGGCTGTTTATTGAAGCG CATCCGGATCCGGAACATGCGAAATGTGATGGTCCATCCGCGCTGCCGCTGGCTAAACTG GAACCGTTCCTCAAGCAGATGAAAGCGATTGATGATCTGGTGAAAGGTTTCGAAGAACTG GATACCAGCAAGTAA PF00793 DAHP_synth_1 component cell component intracellular component cytoplasm function transferase activity function transferase activity, transferring alkyl or aryl (other than methyl) groups function 3-deoxy-8-phosphooctulonate synthase activity function catalytic activity process metabolism process biosynthesis process physiological process "
rdfs:label	"1-Deoxy-Ribofuranose-5'-Phosphate"

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

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