Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04257"

PredicateValue (sorted: default)
rdfs:label
"Palmitoleic Acid"
rdf:type
drugbank:drugs
drugbank:description
" 373-49-9 experimental This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain. Straight Chain Fatty Acids Organic Compounds Lipids Fatty Acids and Conjugates Straight Chain Fatty Acids Unsaturated Fatty Acids Polyamines Enolates Carboxylic Acids enolate polyamine carboxylic acid carboxylic acid derivative logP 6.71 ALOGPS logS -5.8 ALOGPS Water Solubility 4.47e-04 g/l ALOGPS logP 5.89 ChemAxon IUPAC Name (9E)-hexadec-9-enoic acid ChemAxon Traditional IUPAC Name palmitoleic acid ChemAxon Molecular Weight 254.4082 ChemAxon Monoisotopic Weight 254.224580204 ChemAxon SMILES CCCCCC\C=C\CCCCCCCC(O)=O ChemAxon Molecular Formula C16H30O2 ChemAxon InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+ ChemAxon InChIKey InChIKey=SECPZKHBENQXJG-BQYQJAHWSA-N ChemAxon Polar Surface Area (PSA) 37.3 ChemAxon Refractivity 78.2 ChemAxon Polarizability 33.37 ChemAxon Rotatable Bond Count 13 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 4.99 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 0 ChemAxon Melting Point -0.1 °C PhysProp ChEBI 28716 PubChem Compound 5282745 PubChem Substance 46508831 KEGG Compound C08362 PDB PAM BE0001960 Fatty-acid peroxygenase Bacillus subtilis (strain 168) # 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 Fatty-acid peroxygenase Secondary metabolites biosynthesis, transport and catabolism Catalyzes the alpha- and beta-hydroxylation of myristic acid in the presence of hydrogen peroxide cypC None 6.93 48110.0 Bacillus subtilis (strain 168) GenBank Gene Database AB006424 GenBank Protein Database 3599632 UniProtKB O31440 UniProt Accession CYPC_BACSU EC 1.14.-.- Fatty acid beta- hydroxylase P450BsBeta >Cytochrome P450 152A1 MNEQIPHDKSLDNSLTLLKEGYLFIKNRTERYNSDLFQARLLGKNFICMTGAEAAKVFYD TDRFQRQNALPKRVQKSLFGVNAIQGMDGSAHIHRKMLFLSLMTPPHQKRLAELMTEEWK AAVTRWEKADEVVLFEEAKEILCRVACYWAGVPLKETEVKERADDFIDMVDAFGAVGPRH WKGRRARPRAEEWIEVMIEDARAGLLKTTSGTALHEMAFHTQEDGSQLDSRMAAIELINV LRPIVAISYFLVFSALALHEHPKYKEWLRSGNSREREMFVQEVRRYYPFGPFLGALVKKD FVWNNCEFKKGTSVLLDLYGTNHDPRLWDHPDEFRPERFAEREENLFDMIPQGGGHAEKG HRCPGEGITIEVMKASLDFLVHQIEYDVPEQSLHYSLARMPSLPESGFVMSGIRRKS >1254 bp ATGAATGAGCAGATTCCACATGACAAAAGTCTCGATAACAGTCTGACACTGCTGAAGGAA GGGTATTTATTTATTAAAAACAGAACAGAGCGCTACAATTCAGATCTGTTTCAGGCCCGT TTGTTGGGAAAAAACTTTATTTGCATGACTGGCGCTGAGGCGGCGAAGGTGTTTTATGAT ACGGATCGATTCCAGCGGCAGAACGCTTTGCCTAAGCGGGTGCAGAAATCGCTGTTTGGT GTTAATGCGATTCAGGGAATGGATGGCAGCGCGCATATCCATCGGAAGATGCTTTTTCTG TCATTGATGACACCGCCGCATCAAAAACGTTTGGCTGAGTTGATGACAGAGGAGTGGAAA GCAGCAGTCACAAGATGGGAGAAGGCAGATGAGGTTGTGTTATTTGAAGAAGCAAAAGAA ATCCTGTGCCGGGTAGCGTGCTATTGGGCAGGTGTTCCGTTGAAGGAAACGGAAGTCAAA GAGAGAGCGGATGACTTCATTGACATGGTCGACGCGTTCGGTGCTGTGGGACCGCGGCAT TGGAAAGGAAGAAGAGCAAGGCCGCGTGCGGAAGAGTGGATTGAAGTCATGATTGAAGAT GCTCGTGCCGGCTTGCTGAAAACGACTTCCGGAACAGCGCTGCATGAAATGGCTTTTCAC ACACAAGAAGATGGAAGCCAGCTGGATTCCCGCATGGCAGCCATTGAGCTGATTAATGTA CTGCGGCCTATTGTCGCCATTTCTTACTTTCTGGTGTTTTCAGCTTTGGCGCTTCATGAG CATCCGAAGTATAAGGAATGGCTGCGGTCTGGAAACAGCCGGGAAAGAGAAATGTTTGTG CAGGAGGTCCGCAGATATTATCCGTTCGGCCCGTTTTTAGGGGCGCTTGTCAAAAAAGAT TTTGTATGGAATAACTGTGAGTTTAAGAAGGGCACATCGGTGCTGCTTGATTTATATGGA ACGAACCACGACCCTCGTCTATGGGATCATCCCGATGAATTCCGGCCGGAACGATTTGCG GAGCGGGAAGAAAATCTGTTTGATATGATTCCTCAAGGCGGGGGGCACGCCGAGAAAGGC CACCGCTGTCCAGGGGAAGGCATTACAATTGAAGTCATGAAAGCGAGCCTGGATTTCCTC GTCCATCAGATTGAATACGATGTTCCGGAACAATCACTGCATTACAGTCTCGCCAGAATG CCATCATTGCCTGAAAGCGGCTTCGTAATGAGCGGAATCAGACGAAAAAGTTAA PF00067 p450 function oxidoreductase activity function ion binding function cation binding function transition metal ion binding function iron ion binding function binding function tetrapyrrole binding function catalytic activity function heme binding function monooxygenase activity process generation of precursor metabolites and energy process electron transport process physiological process process metabolism process cellular metabolism BE0001563 Bifunctional P-450/NADPH-P450 reductase Bacillus megaterium # 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 Bifunctional P-450/NADPH-P450 reductase Inorganic ion transport and metabolism Functions as a fatty acid monooxygenase. Catalyzes hydroxylation of medium and long-chain fatty acids at omega-1, omega-2 and omega-3 positions, with optimum chain lengths of 12-16 carbons (lauric, myristic, and palmitic acids). The reductase domain is required for electron transfer from NADP to cytochrome P450 CYP102A1 None 5.03 117783.0 Bacillus megaterium GenBank Gene Database J04832 GenBank Protein Database 142798 UniProtKB P14779 UniProt Accession CPXB_BACME Cytochrome P450(BM-3) P450BM-3 >Bifunctional P-450:NADPH-P450 reductase MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIK EACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMM VDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVR ALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLN GKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLV DPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQ LHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLK HFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGGIPSPSTEQSAKKVRKKAENAHN TPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGH PPDNAKQFVDWLDQASADEVKGVRYSVFGCGDKNWATTYQKVPAFIDETLAAKGAENIAD RGEADASDDFEGTYEEWREHMWSDVAAYFNLDIENSEDNKSTLSLQFVDSAADMPLAKMH GAFSTNVVASKELQQPGSARSTRHLEIELPKEASYQEGDHLGVIPRNYEGIVNRVTARFG LDASQQIRLEAEEEKLAHLPLAKTVSVEELLQYVELQDPVTRTQLRAMAAKTVCPPHKVE LEALLEKQAYKEQVLAKRLTMLELLEKYPACEMKFSEFIALLPSIRPRYYSISSSPRVDE KQASITVSVVSGEAWSGYGEYKGIASNYLAELQEGDTITCFISTPQSEFTLPKDPETPLI MVGPGTGVAPFRGFVQARKQLKEQGQSLGEAHLYFGCRSPHEDYLYQEELENAQSEGIIT LHTAFSRMPNQPKTYVQHVMEQDGKKLIELLDQGAHFYICGDGSQMAPAVEATLMKSYAD VHQVSEADARLWLQQLEEKGRYAKDVWAG >3150 bp ATGACAATTAAAGAAATGCCTCAGCCAAAAACGTTTGGAGAGCTTAAAAATTTACCGTTA TTAAACACAGATAAACCGGTTCAAGCTTTGATGAAAATTGCGGATGAATTAGGAGAAATC TTTAAATTCGAGGCGCCTGGTCGTGTAACGCGCTACTTATCAAGTCAGCGTCTAATTAAA GAAGCATGCGATGAATCACGCTTTGATAAAAACTTAAGTCAAGCGCTTAAATTTGTACGT GATTTTGCAGGAGACGGGTTATTTACAAGCTGGACGCATGAAAAAAATTGGAAAAAAGCG CATAATATCTTACTTCCAAGCTTCAGTCAGCAGGCAATGAAAGGCTATCATGCGATGATG GTCGATATCGCCGTGCAGCTTGTTCAAAAGTGGGAGCGTCTAAATGCAGATGAGCATATT GAAGTACCGGAAGACATGACACGTTTAACGCTTGATACAATTGGTCTTTGCGGCTTTAAC TATCGCTTTAACAGCTTTTACCGAGATCAGCCTCATCCATTTATTACAAGTATGGTCCGT GCACTGGATGAAGCAATGAACAAGCTGCAGCGAGCAAATCCAGACGACCCAGCTTATGAT GAAAACAAGCGCCAGTTTCAAGAAGATATCAAGGTGATGAACGACCTAGTAGATAAAATT ATTGCAGATCGCAAAGCAAGCGGTGAACAAAGCGATGATTTATTAACGCATATGCTAAAC GGAAAAGATCCAGAAACGGGTGAGCCGCTTGATGACGAGAACATTCGCTATCAAATTATT ACATTCTTAATTGCGGGACACGAAACAACAAGTGGTCTTTTATCATTTGCGCTGTATTTC TTAGTGAAAAATCCACATGTATTACAAAAAGCAGCAGAAGAAGCAGCACGAGTTCTAGTA GATCCTGTTCCAAGCTACAAACAAGTCAAACAGCTTAAATATGTCGGCATGGTCTTAAAC GAAGCGCTGCGCTTATGGCCAACTGCTCCTGCGTTTTCCCTATATGCAAAAGAAGATACG GTGCTTGGAGGAGAATATCCTTTAGAAAAAGGCGACGAACTAATGGTTCTGATTCCTCAG CTTCACCGTGATAAAACAATTTGGGGAGACGATGTGGAAGAGTTCCGTCCAGAGCGTTTT GAAAATCCAAGTGCGATTCCGCAGCATGCGTTTAAACCGTTTGGAAACGGTCAGCGTGCG TGTATCGGTCAGCAGTTCGCTCTTCATGAAGCAACGCTGGTACTTGGTATGATGCTAAAA CACTTTGACTTTGAAGATCATACAAACTACGAGCTGGATATTAAAGAAACTTTAACGTTA AAACCTGAAGGCTTTGTGGTAAAAGCAAAATCGAAAAAAATTCCGCTTGGCGGTATTCCT TCACCTAGCACTGAACAGTCTGCTAAAAAAGTACGCAAAAAGGCAGAAAACGCTCATAAT ACGCCGCTGCTTGTGCTATACGGTTCAAATATGGGAACAGCTGAAGGAACGGCGCGTGAT TTAGCAGATATTGCAATGAGCAAAGGATTTGCACCGCAGGTCGCAACGCTTGATTCACAC GCCGGAAATCTTCCGCGCGAAGGAGCTGTATTAATTGTAACGGCGTCTTATAACGGTCAT CCGCCTGATAACGCAAAGCAATTTGTCGACTGGTTAGACCAAGCGTCTGCTGATGAAGTA AAAGGCGTTCGCTACTCCGTATTTGGATGCGGCGATAAAAACTGGGCTACTACGTATCAA AAAGTGCCTGCTTTTATCGATGAAACGCTTGCCGCTAAAGGGGCAGAAAACATCGCTGAC CGCGGTGAAGCAGATGCAAGCGACGACTTTGAAGGCACATATGAAGAATGGCGTGAACAT ATGTGGAGTGACGTAGCAGCCTACTTTAACCTCGACATTGAAAACAGTGAAGATAATAAA TCTACTCTTTCACTTCAATTTGTCGACAGCGCCGCGGATATGCCGCTTGCGAAAATGCAC GGTGCGTTTTCAACGAACGTCGTAGCAAGCAAAGAACTTCAACAGCCAGGCAGTGCACGA AGCACGCGACATCTTGAAATTGAACTTCCAAAAGAAGCTTCTTATCAAGAAGGAGATCAT TTAGGTGTTATTCCTCGCAACTATGAAGGAATAGTAAACCGTGTAACAGCAAGGTTCGGC CTAGATGCATCACAGCAAATCCGTCTGGAAGCAGAAGAAGAAAAATTAGCTCATTTGCCA CTCGCTAAAACAGTATCCGTAGAAGAGCTTCTGCAATACGTGGAGCTTCAAGATCCTGTT ACGCGCACGCAGCTTCGCGCAATGGCTGCTAAAACGGTCTGCCCGCCGCATAAAGTAGAG CTTGAAGCCTTGCTTGAAAAGCAAGCCTACAAAGAACAAGTGCTGGCAAAACGTTTAACA ATGCTTGAACTGCTTGAAAAATACCCGGCGTGTGAAATGAAATTCAGCGAATTTATCGCC CTTCTGCCAAGCATACGCCCGCGCTATTACTCGATTTCTTCATCACCTCGTGTCGATGAA AAACAAGCAAGCATCACGGTCAGCGTTGTCTCAGGAGAAGCGTGGAGCGGATATGGAGAA TATAAAGGAATTGCGTCGAACTATCTTGCCGAGCTGCAAGAAGGAGATACGATTACGTGC TTTATTTCCACACCGCAGTCAGAATTTACGCTGCCAAAAGACCCTGAAACGCCGCTTATC ATGGTCGGACCGGGAACAGGCGTCGCGCCGTTTAGAGGCTTTGTGCAGGCGCGCAAACAG CTAAAAGAACAAGGACAGTCACTTGGAGAAGCACATTTATACTTCGGCTGCCGTTCACCT CATGAAGACTATCTGTATCAAGAAGAGCTTGAAAACGCCCAAAGCGAAGGCATCATTACG CTTCATACCGCTTTTTCTCGCATGCCAAATCAGCCGAAAACATACGTTCAGCACGTAATG GAACAAGACGGCAAGAAATTGATTGAACTTCTTGATCAAGGAGCGCACTTCTATATTTGC GGAGACGGAAGCCAAATGGCACCTGCCGTTGAAGCAACGCTTATGAAAAGCTATGCTGAC GTTCACCAAGTGAGTGAAGCAGACGCTCGCTTATGGCTGCAGCAGCTAGAAGAAAAAGGC CGATACGCAAAAGACGTGTGGGCTGGGTAA PF00667 FAD_binding_1 PF00258 Flavodoxin_1 PF00175 NAD_binding_1 PF00067 p450 function nucleotide binding function tetrapyrrole binding function FMN binding function heme binding function oxidoreductase activity function monooxygenase activity function ion binding function cation binding function transition metal ion binding function binding function iron ion binding function transporter activity function catalytic activity function electron transporter activity process physiological process process metabolism process generation of precursor metabolites and energy process cellular metabolism process electron transport 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 "
owl:sameAs
drug:EXPT02495

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