Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01991"

Predicate	Value (sorted: none)
rdf:type	ns1:drugs
rdfs:label	"Tu-514"
owl:sameAs	?:EXPT03132
ns1:description	" experimental This compound belongs to the heterocyclic fatty acids. These are fatty acids containing an heterocyclic attached to the acyl chain. Heterocyclic Fatty Acids Organic Compounds Lipids Fatty Acids and Conjugates Heterocyclic Fatty Acids Oxanes Secondary Alcohols Carboxylic Acid Esters Hydroxamic Acids Primary Alcohols Ethers Enolates Polyamines oxane carboxamide group secondary alcohol hydroxamic acid carboxylic acid ester enolate ether polyamine carboxylic acid derivative primary alcohol amine alcohol organonitrogen compound logP 3.77 ALOGPS logS -4.1 ALOGPS Water Solubility 3.49e-02 g/l ALOGPS logP 2.95 ChemAxon IUPAC Name (2S,3R,4S,5S)-3-hydroxy-5-[(hydroxycarbamoyl)methyl]-2-(hydroxymethyl)oxan-4-yl tetradecanoate ChemAxon Traditional IUPAC Name (2S,3R,4S,5S)-3-hydroxy-5-[(hydroxycarbamoyl)methyl]-2-(hydroxymethyl)oxan-4-yl tetradecanoate ChemAxon Molecular Weight 431.5634 ChemAxon Monoisotopic Weight 431.288302671 ChemAxon SMILES CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](CC(=O)NO)CO[C@@H](CO)[C@@H]1O ChemAxon Molecular Formula C22H41NO7 ChemAxon InChI InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18-,21-,22-/m0/s1 ChemAxon InChIKey InChIKey=INAPDIIIYSWKOC-GPHNJDIKSA-N ChemAxon Polar Surface Area (PSA) 125.32 ChemAxon Refractivity 112.46 ChemAxon Polarizability 49.97 ChemAxon Rotatable Bond Count 17 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 8.9 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936279 PubChem Substance 46506311 ChemSpider 2631225 PDB TUX BE0001333 UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase Aquifex aeolicus (strain VF5) # 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 UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase Cell wall/membrane/envelope biogenesis Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell lpxC Cytoplasmic None 6.75 32145.0 Aquifex aeolicus (strain VF5) GenBank Gene Database AE000657 GenBank Protein Database 2984065 UniProtKB O67648 UniProt Accession LPXC_AQUAE EC 3.5.1.- UDP-3-O-acyl-GlcNAc deacetylase >UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase MGLEKTVKEKLSFEGVGIHTGEYSKLIIHPEKEGTGIRFFKNGVYIPARHEFVVHTNHST DLGFKGQRIKTVEHILSVLHLLEITNVTIEVIGNEIPILDGSGWEFYEAIRKNILNQNRE IDYFVVEEPIIVEDEGRLIKAEPSDTLEVTYEGEFKNFLGRQKFTFVEGNEEEIVLARTF CFDWEIEHIKKVGLGKGGSLKNTLVLGKDKVYNPEGLRYENEPVRHKVFDLIGDLYLLGS PVKGKFYSFRGGHSLNVKLVKELAKKQKLTRDLPHLPSVQAL >849 bp ATGGGATTAGAAAAGACGGTTAAAGAGAAATTAAGCTTTGAGGGTGTCGGTATACACACA GGTGAATACTCAAAATTAATCATACATCCCGAAAAAGAAGGAACAGGAATCAGGTTTTTC AAGAACGGAGTTTACATACCCGCAAGACATGAGTTCGTCGTTCACACAAATCACTCCACG GATTTAGGCTTTAAAGGGCAAAGAATAAAAACGGTTGAACACATACTTTCCGTTCTCCAC CTACTTGAGATAACAAACGTGACAATAGAAGTAATAGGGAACGAAATCCCTATACTTGAC GGAAGTGGCTGGGAATTCTACGAAGCCATTAGGAAAAATATTCTCAATCAGAACAGAGAA ATAGATTACTTTGTTGTAGAAGAACCCATTATCGTGGAAGACGAGGGAAGATTGATAAAG GCAGAACCTTCAGACACGCTTGAGGTCACCTACGAGGGAGAATTTAAAAATTTCCTGGGA AGGCAGAAGTTTACCTTTGTTGAAGGGAACGAAGAAGAAATAGTCCTTGCGCGGACTTTT TGCTTTGACTGGGAAATAGAACACATTAAAAAAGTCGGTCTTGGGAAGGGAGGAAGCCTG AAAAACACCCTCGTTCTCGGAAAGGATAAAGTGTACAACCCTGAAGGGCTAAGATACGAA AACGAACCTGTAAGACACAAAGTGTTTGACCTTATAGGAGACCTTTACCTCCTTGGAAGT CCCGTAAAAGGTAAGTTTTACTCCTTCAGGGGAGGGCACTCGCTCAACGTAAAACTCGTA AAAGAGCTTGCAAAGAAACAAAAACTTACTCGTGATTTACCTCACCTTCCTTCCGTCCAA GCTCTCTGA PF03331 LpxC function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides function UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity function catalytic activity process metabolism process primary metabolism process lipid metabolism process cellular lipid metabolism process lipid A metabolism process physiological process process lipid A biosynthesis "

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