Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02897"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the acyl phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH. Acyl Phosphates Organic Compounds Organophosphorus Compounds Organic Phosphoric Acids and Derivatives Organophosphate Esters Organic Phosphoric Acids Polyamines Enolates Carboxylic Acids and Derivatives organic phosphate polyamine enolate carboxylic acid derivative logP -0.92 ALOGPS logS -0.9 ALOGPS Water Solubility 1.78e+01 g/l ALOGPS logP -0.88 ChemAxon IUPAC Name (acetyloxy)phosphonic acid ChemAxon Traditional IUPAC Name acetyloxyphosphonic acid ChemAxon Molecular Weight 140.0319 ChemAxon Monoisotopic Weight 139.987459782 ChemAxon SMILES CC(=O)OP(O)(O)=O ChemAxon Molecular Formula C2H5O5P ChemAxon InChI InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6) ChemAxon InChIKey InChIKey=LIPOUNRJVLNBCD-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 83.83 ChemAxon Refractivity 23.8 ChemAxon Polarizability 9.87 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 1.24 ChemAxon pKa (strongest basic) -7.4 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 15350 PubChem Compound 186 PubChem Substance 46505844 PDB UVW BE0001903 GDP-L-fucose synthase Escherichia coli (strain K12) # 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 GDP-L-fucose synthase Cell wall/membrane/envelope biogenesis Two step NADP-dependent conversion of GDP-4-dehydro-6- deoxy-D-mannose to GDP-fucose, involving an epimerase and a reductase reaction fcl Cytoplasm None 6.89 36142.0 Escherichia coli (strain K12) GenBank Gene Database U38473 GenBank Protein Database 1407613 UniProtKB P32055 UniProt Accession FCL_ECOLI EC 1.1.1.271 GDP-4-keto-6-deoxy-D-mannose- 3,5-epimerase-4-reductase >GDP-L-fucose synthetase MSKQRVFIAGHRGMVGSAIRRQLEQRGDVELVLRTRDELNLLDSRAVHDFFASERIDQVY LAAAKVGGIVANNTYPADFIYQNMMIESNIIHAAHQNDVNKLLFLGSSCIYPKLAKQPMA ESELLQGTLEPTNEPYAIAKIAGIKLCESYNRQYGRDYRSVMPTNLYGPHDNFHPSNSHV IPALLRRFHEATAQNAPDVVVWGSGTPMREFLHVDDMAAASIHVMELAHEVWLENTQPML SHINVGTGVDCTIRELAQTIAKVVGYKGRVVFDASKPDGTPRKLLDVTRLHQLGWYHEIS LEAGLASTYQWFLENQDRFRG >966 bp ATGAGTAAACAACGAGTTTTTATTGCTGGTCATCGCGGGATGGTCGGTTCCGCCATCAGG CGGCAGCTCGAACAGCGCGGTGATGTGGAACTGGTATTACGCACCCGCGACGAGCTGAAC CTGCTGGACAGCCGCGCCGTGCATGATTTCTTTGCCAGCGAACGTATTGACCAGGTCTAT CTGGCGGCGGCGAAAGTGGGCGGCATTGTTGCCAACAACACCTATCCGGCGGATTTCATC TACCAGAACATGATGATTGAGAGCAACATCATTCACGCCGCGCATCAGAACGACGTGAAC AAACTGCTGTTTCTCGGATCGTCCTGCATCTACCCGAAACTGGCAAAACAGCCGATGGCA GAAAGCGAGTTGTTGCAGGGCACGCTGGAGCCGACTAACGAGCCTTATGCTATTGCCAAA ATCGCCGGGATCAAACTGTGCGAATCATACAACCGCCAGTACGGACGCGATTACCGCTCA GTCATGCCGACCAACCTGTACGGGCCACACGACAACTTCCACCCGAGTAATTCGCATGTG ATCCCAGCATTGCTGCGTCGCTTCCACGAGGCGACGGCACAGAATGCGCCGGACGTGGTG GTATGGGGCAGCGGTACACCGATGCGCGAATTTCTGCACGTCGATGATATGGCGGCGGCG AGCATTCATGTCATGGAGCTGGCGCATGAAGTCTGGCTGGAGAACACCCAGCCGATGTTG TCGCACATTAACGTCGGCACGGGCGTTGACTGCACTATCCGCGACGTGGCGCAAACCATC GCCAAAGTGGTGGGTTACAAAGGCCGGGTGGTTTTTGATGCCAGCAAACCGGATGGCACG CCGCGCAAACTGCTGGATGTGACGCGCCTGCATCAGCTTGGCTGGTATCACGAAATCTCA CTGGAAGCGGGGCTTGCCAGCACTTACCAGTGGTTCCTTGAGAATCAAGACCGCTTTCGG GGGTAA PF01370 Epimerase function catalytic activity function cofactor binding function coenzyme binding function NAD binding function binding process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide-sugar metabolism process physiological process BE0001908 Phosphate acetyltransferase 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 Phosphate acetyltransferase Energy production and conversion Acetyl-CoA + phosphate = CoA + acetyl phosphate pta Cytoplasm (Potential) None 4.57 34791.0 Bacillus subtilis (strain 168) GenBank Gene Database X73124 GenBank Protein Database 580883 UniProtKB P39646 UniProt Accession PTAS_BACSU EC 2.3.1.8 Phosphotransacetylase VEG43 Vegetative protein 43 >Phosphate acetyltransferase MADLFSTVQEKVAGKDVKIVFPEGLDERILEAVSKLAGNKVLNPIVIGNENEIQAKAKEL NLTLGGVKIYDPHTYEGMEDLVQAFVERRKGKATEEQARKALLDENYFGTMLVYKGLADG LVSGAAHSTADTVRPALQIIKTKEGVKKTSGVFIMARGEEQYVFADCAINIAPDSQDLAE IAIESANTAKMFDIEPRVAMLSFSTKGSAKSDETEKVADAVKIAKEKAPELTLDGEFQFD AAFVPSVAEKKAPDSEIKGDANVFVFPSLEAGNIGYKIAQRLGNFEAVGPILQGLNMPVN DLSRGCNAEDVYNLALITAAQAL >972 bp GTGGCAGATTTATTTTCAACAGTGCAAGAAAAAGTAGCTGGAAAAGACGTTAAAATTGTA TTTCCTGAAGGCTTAGACGAGCGTATTTTAGAAGCGGTCAGCAAGCTTGCAGGAAACAAA GTGCTGAATCCGATTGTGATCGGCAATGAAAATGAGATCCAAGCAAAAGCAAAAGAATTG AACCTTACGCTGGGCGGCGTTAAGATTTATGATCCTCATACATATGAAGGCATGGAAGAC CTTGTACAAGCATTCGTAGAACGCCGCAAAGGCAAAGCGACTGAAGAACAGGCTCGTAAA GCATTATTAGACGAGAACTACTTCGGTACAATGCTGGTGTATAAAGGACTTGCAGACGGA CTTGTAAGCGGAGCTGCTCACTCAACTGCTGACACTGTCCGCCCGGCTCTTCAAATCATC AAAACAAAAGAAGGCGTGAAAAAGACTTCAGGCGTGTTCATCATGGCTCGCGGAGAAGAG CAATACGTATTCGCAGATTGCGCGATCAACATTGCACCTGACAGCCAAGATCTTGCCGAG ATTGCGATCGAAAGTGCCAATACGGCAAAAATGTTCGACATTGAGCCTCGCGTGGCAATG CTCAGCTTCTCTACAAAAGGCTCAGCAAAATCTGATGAAACAGAAAAAGTAGCGGATGCA GTGAAAATCGCGAAAGAAAAAGCGCCTGAACTGACACTTGACGGCGAATTCCAATTTGAT GCTGCATTTGTTCCATCTGTAGCTGAGAAAAAAGCGCCGGATTCCGAGATCAAAGGGGAC GCTAACGTATTCGTATTCCCAAGTCTTGAAGCAGGAAACATCGGCTATAAAATCGCTCAG CGTTTGGGCAACTTTGAAGCGGTAGGACCAATCCTGCAAGGTTTAAATATGCCTGTAAAC GACCTTTCAAGAGGATGTAACGCTGAAGATGTTTACAATCTCGCATTAATTACAGCGGCG CAAGCACTGTAA PF01515 PTA_PTB function transferase activity, transferring acyl groups function transferase activity, transferring groups other than amino-acyl groups function acyltransferase activity function catalytic activity function transferase activity function acetyltransferase activity process physiological process process metabolism "
rdfs:label	"Acetylphosphate"
owl:sameAs	drug:EXPT03212

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

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