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PredicateValue (sorted: none)
rdfs:label
"1-Hexadecanosulfonic Acid"
rdf:type
ns1:drugs
ns1:description
" 15015-81-3 experimental This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H). Sulfonic Acids Organic Compounds Organic Acids and Derivatives Sulfonic Acids and Derivatives Sulfonic Acids Sulfonyls Organic Sulfites Polyamines polyamine logP 4.03 ALOGPS logS -5.5 ALOGPS Water Solubility 8.57e-04 g/l ALOGPS logP 5.85 ChemAxon IUPAC Name hexadecane-1-sulfonic acid ChemAxon Traditional IUPAC Name 1-hexadecanosulfonic acid ChemAxon Molecular Weight 306.504 ChemAxon Monoisotopic Weight 306.222865644 ChemAxon SMILES CCCCCCCCCCCCCCCCS(O)(=O)=O ChemAxon Molecular Formula C16H34O3S ChemAxon InChI InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19) ChemAxon InChIKey InChIKey=SSILHZFTFWOUJR-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 54.37 ChemAxon Refractivity 85.74 ChemAxon Polarizability 38.82 ChemAxon Rotatable Bond Count 15 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) -0.59 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 0 ChemAxon ChEBI 32912 PubChem Compound 14253 PubChem Substance 46504870 PDB HDS BE0002837 Hydrolase Alicyclobacillus acidocaldarius unknown Hydrolase Involved in hydrolase activity None 4.85 34303.0 Alicyclobacillus acidocaldarius UniProtKB Q7SIG1 UniProt Accession Q7SIG1_ALIAC >Hydrolase MPLDPVIQQVLDQLNRMPAPDYKHLSAQQFRSQQSLFPPVKKEPVAEVREFDMDLPGRTL KVRMYRPEGVEPPYPALVYYHGGGWVVGDLETHDPVCRVLAKDGRAVVFSVDYRLAPEHK FPAAVEDAYDALQWIAERAADFHLDPARIAVGGDSAGGNLAAVTSILAKERGGPALAFQL LIYPSTGYDPAHPPASIEENAEGYLLTGGMMLWFRDQYLNSLEELTHPWFSPVLYPDLSG LPPAYIATAQYDPLRDVGKLYAEALNKAGVKVEIENFEDLIHGFAQFYSLSPGATKALVR IAEKLRDALA PF07859 Abhydrolase_3 BE0001696 Lipase 1 Yeast # 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 Lipase 1 Lipid transport and metabolism Triacylglycerol + H(2)O = diacylglycerol + a carboxylate LIP1 None 4.43 58551.0 Yeast GenBank Gene Database X64703 GenBank Protein Database 1325987 UniProtKB P20261 UniProt Accession LIP1_CANRU EC 3.1.1.3 Lipase 1 precursor >Lipase 1 precursor MELALALSLIASVAAAPTATLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYS GSLDGQKFTSYGPSCMQQNPEGTYEENLPKAALDLVMQSKVFEAVSPSSEDCLTINVVRP PGTKAGANLPVMLWIFGGGFEVGGTSTFPPAQMITKSIAMGKPIIHVSVNYRVSSWGFLA GDEIKAEGSANAGLKDQRLGMQWVADNIAAFGGDPTKVTIFGESAGSMSVMCHILWNDGD NTYKGKPLFRAGIMQSGAMVPSDAVDGIYGNEIFDLLASNAGCGSASDKLACLRGVSSDT LEDATNNTPGFLAYSSLRLSYLPRPDGVNITDDMYALVREGKYANIPVIIGDQNDEGTFF GTSSLNVTTDAQAREYFKQSFVHASDAEIDTLMTAYPGDITQGSPFDTGILNALTPQFKR ISAVLGDLGFTLARRYFLNHYTGGTKYSFLSKQLSGLPVLGTFHSNDIVFQDYLLGSGSL IYNNAFIAFATDLDPNTAGLLVKWPEYTSSSQSGNNLMMINALGLYTGKDNFRTAGYDAL FSNPPSFFV >1650 bp ATGGAGCTCGCTCTTGCGCTCCTGCTCATTGCCTCGGTGGCTGCTGCCCCCACCGCCACG CTCGCCAACGGCGACACCATCACCGGTCTCAACGCCATCATCAACGAGGCGTTCCTCGGC ATTCCCTTTGCCGAGCCGCCGGTGGGCAACCTCCGCTTCAAGGACCCCGTGCCGTACTCC GGCTCGCTCGATGGCCAGAAGTTCACGCTGTACGGCCCGCTGTGCATGCAGCAGAACCCC GAGGGCACCTACGAGGAGAACCTCCCCAAGGCAGCGCTCGACTTGGTGATGCAGTCCAAG GTGTTTGAGGCGGTGCTGCCGCTGAGCGAGGACTGTCTCACCATCAACGTGGTGCGGCCG CCGGGCACCAAGGCGGGTGCCAACCTCCCGGTGATGCTCTGGATCTTTGGCGGCGGGTTT GAGGTGGGTGGCACCAGCACCTTCCCTCCCGCCCAGATGATCACCAAGAGCATTGCCATG GGCAAGCCCATCATCCACGTGAGCGTCAACTACCGCGTGTCGTCGTGGGGGTTCTTGGCT GGCGACGAGATCAAGGCCGAGGGCAGTGCCAACGCCGGTTTGAAGGACCAGCGCTTGGGC ATGCAGTGGGTGGCGGACAACATTGCGGCGTTTGGCGGCGACCCGACCAAGGTGACCATC TTTGGCGAGCTGGCGGGCAGCATGTCGGTCATGTGCCACATTCTCTGGAACGACGGCGAC AACACGTACAAGGGCAAGCCGCTCTTCCGCGCGGGCATCATGCAGCTGGGGGCCATGGTG CCGCTGGACGCCGTGGACGGCATCTACGGCAACGAGATCTTTGACCTCTTGGCGTCGAAC GCGGGCTGCGGCAGCGCCAGCGACAAGCTTGCGTGCTTGCGCGGTGTGCTGAGCGACACG TTGGAGGACGCCACCAACAACACCCCTGGGTTCTTGGCGTACTCCTCGTTGCGGTTGCTG TACCTCCCCCGGCCCGACGGCGTGAACATCACCGACGACATGTACGCCTTGGTGCGCGAG GGCAAGTATGCCAACATCCCTGTGATCATCGGCGACCAGAACGACGAGGGCACCTTCTTT GGCACCCTGCTGTTGAACGTGACCACGGATGCCCAGGCCCGCGAGTACTTCAAGCAGCTG TTTGTCCACGCCAGCGACGCGGAGATCGACACGTTGATGACGGCGTACCCCGGCGACATC ACCCAGGGCCTGCCGTTCGACACGGGTATTCTCAACGCCCTCACCCCGCAGTTCAAGAGA ATCCTGGCGGTGCTCGGCGACCTTGGCTTTACGCTTGCTCGTCGCTACTTCCTCAACCAC TACACCGGCGGCACCAAGTACTCATTCCTCCTGAAGCAGCTCCTGGGCTTGCCGGTGCTC GGAACGTTCCACTCCAACGACATTGTCTTCCAGGACTACTTGTTGGGCAGCGGCTCGCTC ATCTACAACAACGCGTTCATTGCGTTTGCCACGGACTTGGACCCCAACACCGCGGGGTTG TTGGTGAAGTGGCCCGAGTACACCAGCAGCCTGCAGCTGGGCAACAACTTGATGATGATC AACGCCTTGGGCTTGTACACCGGCAAGGACAACTTCCGCACCGCCGGCTACGACGCGTTG TTCTCCAACCCGCCGCTGTTCTTTGTGTAA PF00135 COesterase BE0001194 Fatty acid-binding protein, adipocyte Human # 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 # 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 Fatty acid-binding protein, adipocyte Involved in factty acid binding Lipid transport protein in adipocytes. Binds both long chain fatty acid and retinoic acid FABP4 8q21 Cytoplasm (Potential) None 7.25 14719.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:3559 GenAtlas FABP4 GeneCards FABP4 GenBank Gene Database J02874 GenBank Protein Database 178347 UniProtKB P15090 UniProt Accession FABP4_HUMAN A-FABP Adipocyte lipid-binding protein AFABP ALBP >Fatty acid-binding protein, adipocyte MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKN TEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVM KGVTSTRVYERA >399 bp ATGTGTGATGCTTTTGTAGGTACCTGGAAACTTGTCTCCAGTGAAAACTTTGATGATTAT ATGAAAGAAGTAGGAGTGGGCTTTGCCACCAGGAAAGTGGCTGGCATGGCCAAACCTAAC ATGATCATCAGTGTGAATGGGGATGTGATCACCATTAAATCTGAAAGTACCTTTAAAAAT ACTGAGATTTCCTTCATACTGGGCCAGGAATTTGACGAAGTCACTGCAGATGACAGGAAA GTCAAGAGCACCATAACCTTAGATGGGGGTGTCCTGGTACATGTGCAGAAATGGGATGGA AAATCAACCACCATAAAGAGAAAACGAGAGGATGATAAACTGGTGGTGGAATGCGTCATG AAAGGCGTCACTTCCACGAGAGTTTATGAGAGAGCATAA PF00061 Lipocalin function lipid binding function binding process cellular physiological process process transport process physiological process "
owl:sameAs
?:EXPT01716

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

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