Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06946"

Predicate	Value (sorted: default)
rdfs:label	"(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. Phenylpyruvic Acid Derivatives Organic Compounds Benzenoids Benzene and Substituted Derivatives Phenylpyruvic Acid Derivatives Phenylpropanoic Acids Sugar Acids and Derivatives Beta Hydroxy Acids and Derivatives Fluorobenzenes Trioses Aryl Fluorides Alpha Hydroxy Acids and Derivatives 1,2-Diols Secondary Alcohols Carboxylic Acids Enolates Polyamines Aldehydes Organofluorides beta-hydroxy acid fluorobenzene sugar acid hydroxy acid monosaccharide triose monosaccharide alpha-hydroxy acid saccharide aryl halide aryl fluoride secondary alcohol 1,2-diol carboxylic acid carboxylic acid derivative enolate polyamine organofluoride organohalogen alcohol aldehyde logP 0.28 ALOGPS logS -1.4 ALOGPS Water Solubility 7.39e+00 g/l ALOGPS logP 0.41 ChemAxon IUPAC Name (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid ChemAxon Traditional IUPAC Name (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid ChemAxon Molecular Weight 200.1638 ChemAxon Monoisotopic Weight 200.048486981 ChemAxon SMILES [H][C@@](O)(C(O)=O)[C@@]([H])(O)C1=CC=C(F)C=C1 ChemAxon Molecular Formula C9H9FO4 ChemAxon InChI InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1 ChemAxon InChIKey InChIKey=DWYLYIVEFVSGCP-YUMQZZPRSA-N ChemAxon Polar Surface Area (PSA) 77.76 ChemAxon Refractivity 44.88 ChemAxon Polarizability 17.61 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 3.27 ChemAxon pKa (strongest basic) -3.6 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 23644579 PubChem Substance 99443417 PDB 295 BE0003755 MIO-dependent tyrosine 2,3-aminomutase Streptomyces globisporus # 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 MIO-dependent tyrosine 2,3-aminomutase Amino acid transport and metabolism L-histidine = urocanate + NH(3) Cytoplasm (By similarity) None 5.4 58138.4 Streptomyces globisporus GenBank Gene Database AY048670 GenBank Protein Database 24575077 UniProtKB Q8GMG0 UniProt Accession TAM_STRGL >Histidine ammonia-lyase MALTQVETEIVPVSVDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNI PIYGVTTGYGEMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIVAARLNTLAKG HSAVRPIILERLAQYLNEGITPAIPEIGSLGASGDLAPLSHVASTLIGEGYVLRDGRPVE TAQVLAERGIEPLELRFKEGLALINGTSGMTGLGSLVVGRALEQAQQAEIVTALLIEAVR GSTSPFLAEGHDIARPHEGQIDTAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRS EIYLQKAYSLRAIPQVVGAVRDTLYHARHKLRIELNSANDNPLFFEGKEIFHGANFHGQP IAFAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAGAQYPATAL VAENRTIGPASTQSVPSNGDNQDVVSMGLISARNARRVLSNNNKILAVEYLAAAQAVDIS GRFDGLSPAAKATYEAVRRLVPTLGVDRYMADDIELVADALSRGEFLRAIARETDIQLR >1497 bp GTGAGGGCTCTGCCGGGAAGTGGCGGATTGCGCATGGCAGGAGATGCCCCGACAGCGGCC GGGAATCGACGATGTCCCCCGACCCCTATCCAGCGTCCGCTGATCCTCAGGAGGCAGACC TTGCAGGCTCCAGAAGCGAAGAACGGCCGGTCCCCGGAGCAGCCGCAGGAAGAGCGGATC GTCCTGGACGTATGGCTGGCGAACTACCCGTTCCCCACCTATGACGGGCGTGACTTCCTC GCTCCGCTGCGCGAGCGGGCGGCGGAGTTCGAGCGCGCCCACCCCCGATACCGGGTCGAC ATCAACGGCCACGACTTCTGGACCATCCCCGAGAAGGTGGCGCGCGCCACCGCGGAGGGC AGGCCTCCGCACATAGCGGGCTACTACGCCACCGACAGCCAGTTGGCGCGGGACGCGCGC AGGCCCGACGGGAAGCCGGTCTTCACCTCGGTGGAGGCCGCGTTGGCCGGCCGGACGGAG ATACTGGGACACCCGGTGGTGGTGGAGGACCTCGACCCCGTGGTGCGCGACTCCTACTCG TTCGGGGGCGAGTTGGTGTCGCTGCCGCTCACGGTCACCACCATGCTCTGCTACGCCAAC TCCTCCCTCCTCGCGCGCGCCGGTGTTCCGGAGTTGCCCCGTACCTGGGATGAGGTCGAA GCAGCCTGCCAGGCGGTGGCCAGCGTCGACGGGGGGCCCGGTCACGGAATCACCTGGGCC AACGACGGCTGGGTTTTCCAGCAGGCCGTCGCCCTTCAGAACGGGGTGCTGACCGATCAG GACAACGGCCGCTCCGGCTCCGCCACGACGGTGGACGTCACATCGGACGAGATGCTGGAC TGGGTCCGCTGGTGGACGCACCTCCATGAGCGCGGCCATTACCTCTACACGGGCGGGCCC TCGGACTGGGGCGGGGCGTTCGAGGCTTTCGTCCAGCAGAAGGTCGCATTCACCTTCGAC TCGTCCAAGGCCGCCCGGGAACTCATCCAGGCCGGTGCACAGGCCGGTTTCGAGGTCGCG GTGTTCCCGTTGCCCAGGAACGCGAAGGCCCCGGTAGCGGGCCAGCCCGTCTCGGGAGAC TCCCTGTGGCTGGCCGCGGGACTCGACGAGACCACGCAGGACGGGCTGCTCGCTCTCACC CAGTACCTGATCAGCCCGGCCAACGCCGCGGACTGGCACCGCACCAACGGTTTCGTACCG GTGACCGGCGCGGCCGGGGAACTGCTGGAAGCGACAGGCTGGTTCGACCGCCGGCCGCAG CAACGGGTGGCCGGGGAGCAGTTGAAGGCGTCCGACCGGTCACCGGCGGCGCTCGGCGCG CTGCTCGGCGACTTCGCGGCCGTCAACGAGGTCATCACCGCAGCGATGGACGATGTCCTG CGCAGTGGAGCGGACCCCGCGAAGGCCTTCGCCGAAGCCGGCGTGGCCGCCCAGCAACTG CTCGATGCCTACAACGCCCGGAACCGCTCCGGATCCGGGACCCCCTCCGCCGTCTGA PF00221 PAL component cell component intracellular component cytoplasm function ammonia-lyase activity function histidine ammonia-lyase activity function ligase activity function catalytic activity function ligase activity, forming carbon-nitrogen bonds function acid-ammonia (or amide) ligase activity function ammonia ligase activity function lyase activity function carbon-nitrogen lyase activity process amino acid metabolism process amino acid and derivative metabolism process biosynthesis process histidine family amino acid metabolism process histidine metabolism process histidine catabolism process physiological process process metabolism process cellular metabolism "

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

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