Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01971"

Predicate	Value (sorted: default)
rdfs:label	"trans-urocanic acid"
rdf:type	ns1:drugs
ns1:description	" 104-98-3 experimental This compound belongs to the imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. Imidazolyl Carboxylic Acids and Derivatives Organic Compounds Heterocyclic Compounds Azoles Imidazoles Enones Polyamines Enolates Carboxylic Acids enone enolate carboxylic acid carboxylic acid derivative polyamine organonitrogen compound (2E)-3-(1H-imidazol-4-yl)acrylic acid (E)-3-(1H-imidazol-4-yl)-2-propenoic acid Urocanic acid logP 0.22 ALOGPS logS -0.51 ALOGPS Water Solubility 4.25e+01 g/l ALOGPS logP -1 ChemAxon IUPAC Name (2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid ChemAxon Traditional IUPAC Name trans-urocanic acid ChemAxon Molecular Weight 138.124 ChemAxon Monoisotopic Weight 138.042927446 ChemAxon SMILES OC(=O)\C=C\C1=CNC=N1 ChemAxon Molecular Formula C6H6N2O2 ChemAxon InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ ChemAxon InChIKey InChIKey=LOIYMIARKYCTBW-OWOJBTEDSA-N ChemAxon Polar Surface Area (PSA) 65.98 ChemAxon Refractivity 35.57 ChemAxon Polarizability 13.1 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 3.85 ChemAxon pKa (strongest basic) 6.13 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Water Solubility 1500 mg/L (at 17 Â°C) YALKOWSKY,SH & DANNENFELSER,RM (1992) Melting Point 225 Â°C PhysProp ChEBI 30817 KEGG Compound C00785 PDB URO SMP00009 Ammonia Recycling DB00116 Tetrahydrofolic acid DB00117 L-Histidine DB00119 Pyruvic acid DB00121 Biotin DB00128 L-Aspartic Acid DB00130 L-Glutamine DB00133 L-Serine DB00142 L-Glutamic Acid DB00145 Glycine DB01971 trans-urocanic acid P20132 Q7L266 P08243 P42357 P31327 A8YXX4 P00367 Q9UI32 P48728 P09622 P23378 P23434 SMP00044 Histidine Metabolism DB00116 Tetrahydrofolic acid DB00117 L-Histidine DB00118 S-Adenosylmethionine DB00142 L-Glutamic Acid DB01373 Calcium DB01593 Zinc DB01971 trans-urocanic acid DB03107 Beta-Alanine Q96KN2 A5YM72 O60678 P19113 P50135 P21397 P30838 P05091 P42357 Q96N76 Q96NU7 O95954 P49590 P12081 P19801 SMP00191 Histidinemia DB00116 Tetrahydrofolic acid DB00117 L-Histidine DB00118 S-Adenosylmethionine DB00142 L-Glutamic Acid DB01373 Calcium DB01593 Zinc DB01971 trans-urocanic acid DB03107 Beta-Alanine Q96KN2 A5YM72 O60678 P19113 P50135 P21397 P30838 P05091 P42357 Q96N76 Q96NU7 O95954 P49590 P12081 P19801 BE0001420 Urocanate hydratase Pseudomonas putida (strain KT2440) # 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 Urocanate hydratase Amino acid transport and metabolism 3-(5-oxo-4,5-dihydro-3H-imidazol-4- yl)propanoate = urocanate + H(2)O hutU Cytoplasm None 5.76 60718.0 Pseudomonas putida (strain KT2440) GenBank Gene Database AE015451 GenBank Protein Database 24986811 UniProtKB Q88CZ6 UniProt Accession HUTU_PSEPK EC 4.2.1.49 Imidazolonepropionate hydrolase Urocanase >Urocanate hydratase MTDNNKYRDVEIRAPRGNKLTAKSWLTEAPLRMLMNNLDPQVAENPKELVVYGGIGRAAR NWACYDKIVETLTRLEDDETLLVQSGKPVGVFKTHSNAPRVLIANSNLVPHWANWEHFNE LDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYGGSLKGKWVLTAGLGGMGG AQPLAATLAGACSLNIECQQSRIDFRLETRYVDEQATDLDDALARIAKYTAEGKAISIAL HGNAAEILPELVKRGVRPDMVTDQTSAHDPLNGYLPAGWTWEQYRDRAQTEPAAVVKAAK QSMAVHVQAMLDFQKQGIPTFDYGNNIRQMAKEEGVANAFDFPGFVPAYIRPLFCRGVGP FRWAALSGEAEDIYKTDAKVKELIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAK LGLAFNEMVRSGELSAPVVIGRDHLDSGSVSSPNRETEAMRDGSDAVSDWPLLNALLNTA GGATWVSLHHGGGVGMGFSQHSGMVIVCDGTDEAAERIARVLTNDPGTGVMRHADAGYDI AIDCAKEQGLDLPMITG >1674 bp TCAGCCGGTGATCATCGGCAGGTCCAGGCCCTGCTCCTTGGCGCAGTCGATGGCGATGTC ATAACCGGCATCGGCGTGACGCATGACGCCAGTCCCTGGGTCGTTGGTCAGTACCCGGGC GATGCGCTCGGCGGCCTCATCGGTACCGTCGCAGACGATGACCATGCCCGAGTGCTGCGA GAAGCCCATGCCCACGCCACCGCCATGGTGCAGCGATACCCAGGTGGCGCCGCCTGCGGT GTTCAGCAGGGCGTTGAGCAGCGGCCAGTCGGAAACAGCGTCCGAACCATCACGCATGGC CTCGGTTTCGCGGTTCGGGCTGGATACCGAGCCGGAGTCGAGGTGGTCACGGCCGATCAC CACCGGTGCCGACAGCTCGCCGCTGCGGACCATTTCGTTGAAAGCCAGGCCCAGCTTGGC GCGAAGGCCCAGCCCCACCCAGCAGATACGTGCCGGCAGGCCCTGGAAGCTGATGCGCTC GCGGGCCATGTCCAGCCAGCGGTGCAGGTGGGCGTCGTCGGGGATCAGTTCCTTGACCTT GGCGTCGGTCTTGTAGATGTCCTCGGCTTCACCGGACAGCGCCGCCCAGCGGAACGGGCC GACGCCGCGGCAGAACAGTGGGCGGATGTAGGCCGGGACGAAGCCTGGGAAGTCGAAGGC ATTGGCCACGCCCTCCTCCTTGGCCATCTGGCGGATGTTGTTGCCGTAATCGAAGGTCGG GATGCCCTGCTTCTGGAAGTCCAGCATGGCCTGCACGTGCACGGCCATCGACTGCTTGGC GGCCTTGACCACTGCAGCCGGTTCGGTCTGCGCACGATCGCGGTACTGTTCCCAGGTCCA GCCGGCTGGCAGGTAGCCGTTCAGTGGGTCGTGGGCGCTGGTCTGGTCGGTGACCATGTC CGGGCGGACGCCACGTTTGACCAGCTCTGGGAGGATTTCGGCGGCGTTGCCGTGCAGGGC GATGGAGATGGCCTTGCCTTCGGCGGTGTACTTGGCGATGCGTGCGAGGGCGTCGTCGAG GTCAGTGGCCTGCTCGTCGACGTAGCGGGTTTCCAGGCGGAAGTCGATACGGCTCTGCTG GCATTCGATGTTCAGCGAGCAAGCCCCAGCCAGGGTCGCGGCCAGTGGCTGGGCGCCGCC CATGCCGCCCAGGCCAGCGGTGAGTACCCACTTGCCTTTCAGGCTGCCGCCGTAGTGCTG GCGACCGGCTTCGACGAAGGTTTCATAGGTGCCCTGGACGATGCCCTGGCTGCCGATGTA GATCCAGCTGCCGGCGGTCATCTGGCCATACATCGCCAGGCCCTTGGCGTCCAGTTCGTT GAAGTGTTCCCAGTTGGCCCAGTGTGGCACCAGGTTGGAGTTGGCAATCAGCACGCGCGG TGCGTTGCTGTGGGTCTTGAACACACCGACCGGCTTGCCCGACTGCACCAGCAGGGTTTC GTCGTCTTCCAGGCGGGTCAGGGTTTCGACGATCTTGTCGTAGCAGGCCCAGTTGCGCGC GGCGCGGCCGATACCGCCGTATACCACCAGCTCTTTCGGGTTTTCCGCGACCTGTGGATC GAGGTTGTTCATCAGCATGCGCAGTGGCGCTTCGGTCAGCCAGCTTTTGGCGGTCAGCTT GTTGCCACGTGGGGCACGGATTTCAACGTCACGGTATTTGTTGTTGTCGGTCAC PF01175 Urocanase function carbon-oxygen lyase activity function hydro-lyase activity function catalytic activity function urocanate hydratase activity function lyase activity process amino acid and derivative metabolism process histidine family amino acid metabolism process histidine metabolism process physiological process process histidine catabolism process metabolism process cellular metabolism process amino acid metabolism "
owl:sameAs	?:Tetrahydrofolic acid ?:L-Histidine ?:S-Adenosylmethionine ?:Pyruvic acid ?:Biotin ?:L-Aspartic Acid ?:L-Glutamine ?:L-Serine ?:L-Glutamic Acid ?:Glycine ?:Calcium ?:Zinc ?:trans-urocanic acid ?:Beta-Alanine ?:EXPT03207

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

The resource appears as object in 14 triples

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