Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04539"

No prefix for http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/.
PredicateValue (sorted: none)
ns1:drugCategory
?:Herbicides
owl:sameAs
?:EXPT01639
rdf:type
ns1:drugs
ns1:description
" 1071-83-6 experimental Donald L. Fields, Jr., Len F. Lee, Thomas J. Richard, "Process for making glyphosate from n-phosphonomethyl-2-oxazolidone." U.S. Patent US4810426, issued November, 1966. This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Organic Phosphonic Acids Polyamines Enolates Carboxylic Acids phosphonic acid derivative phosphonic acid enolate carboxylic acid polyamine amine organonitrogen compound Herbicides logP 0.04 ALOGPS logS -1.3 ALOGPS Water Solubility 1.07e+01 g/l ALOGPS logP -3.1 ChemAxon IUPAC Name (carboxymethyl)(phosphonomethyl)azanium ChemAxon Traditional IUPAC Name glyphosate ChemAxon Molecular Weight 170.081 ChemAxon Monoisotopic Weight 170.021833915 ChemAxon SMILES OC(=O)C[NH2+]CP(O)(O)=O ChemAxon Molecular Formula C3H9NO5P ChemAxon InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1 ChemAxon InChIKey InChIKey=XDDAORKBJWWYJS-UHFFFAOYSA-O ChemAxon Polar Surface Area (PSA) 111.44 ChemAxon Refractivity 42.77 ChemAxon Polarizability 13.37 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) -0.58 ChemAxon pKa (strongest basic) 6.34 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Water Solubility 1.2E+004 mg/L (at 25 °C) WORTHING,CR & WALKER,SB (1987) Melting Point 189.5 °C PhysProp logP -4.00 DAYLIGHT (1999) pKa 0.8 TOMLIN,C (1997); pKa1 ChEBI 27744 PubChem Compound 5288464 PubChem Substance 46506916 KEGG Compound C01705 PDB GPJ BE0001759 3-phosphoshikimate 1-carboxyvinyltransferase Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) inhibitor # 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 # Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11752352 unknown 3-phosphoshikimate 1-carboxyvinyltransferase Amino acid transport and metabolism Phosphoenolpyruvate + 3-phosphoshikimate = phosphate + 5-O-(1-carboxyvinyl)-3-phosphoshikimate aroA Cytoplasm (Probable) None 6.07 45767.0 Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) GenBank Gene Database AF169483 GenBank Protein Database 5616525 UniProtKB Q9S400 UniProt Accession AROA_STRPN 5- enolpyruvylshikimate-3-phosphate synthase EC 2.5.1.19 EPSP synthase EPSPS >3-phosphoshikimate 1-carboxyvinyltransferase MKLKTNIRHLHGSIRVPGDKSISHRSIIFGSLAEGETKVYDILRGEDVLSTMQVFRDLGV EIEDKDGVITIQGVGMAGLKAPQNALNMGNSGTSIRLISGVLAGADFEVEMFGDDSLSKR PMDRVTLPLKKMGVSISGQTERDLPPLRLKGTKNLRPIHYELPIASAQVKSALMFAALQA KGESVIIEKEYTRNHTEDMLKQFGGHLSVDGKKITVQGPQKLTGQKVVVPGDISSAAFWL VAGLIAPNSRLVLQNVGINETRTGIIDVIRAMGGKLEITEIDPVAKSATLIVESSDLKGT EIGGALIPRLIDELPIIALLATQAQGVTVIKDAEELKVKETDRIQVVADALNSMGADITP TADGMIIKGKSALHGARVNTFGDHRIGMMTAIAALLVADGEVELDRAEAINTSYPSFFDD LESLIHG >1284 bp ATGAAACTAAAAACAAACATTCGCCATTTACATGGTATTATCCGCGTCCCAGGTGACAAG TCTATCAGCCACCGTTCCATTATCTTTGGAAGTTTGGCTGAGGGTGAGACCAAGGTTTAT GATATTCTGCGAGGTGAAGACGTTCTTTCGACCATGCAGGTTTTTCGTGACCTTGGTGTT GAAATTGAGGATAAAGATGGGGTTATTACCGTTCAAGGTGTAGGCATGGCTGGCTTAAAA GCGCCGCAAAATGCCCTTAATATGGGAAATTCTGGCACCTCGATTCGCCTGATTTCAGGT GTCCTTGCTGGTGCAGATTTCGAAGTAGAGATGTTTGGAGATGATAGTCTTTCCAAACGT CCTATGGACCGTGTGACCCTTCCACTGAAAAAAATGGGCGTCAGCATCTCAGGGCAAACT GAACGAGACTTGCCTCCCCTTCGCTTAAAAGGGACGAAAAACCTAAGACCTATTCATTAT GAGTTGCCAATTGCCTCTGCCCAAGTCAAGTCAGCCTTGATGTTTGCAGCCTTACAAGCT AAGGGGGAGTCAGTTATTATCGAAAAAGAGTACACCCGTAATCATACTGAAGATATGTTG CAACAATTTGGTGGTCATTTAAGTGTGGATGGTAAGAAAATCACAGTCCAAGGGCCACAA AAATTGACAGGACAGAAGGTGGTCGTACCAGGAGATATTTCCAGTGCAGCCTTTTGGTTA GTCGCAGGTTTGATTGCTCCAAATTCTCGTCTAGTGCTGCAGAATGTGGGGATAAACGAA ACTCGCACCGGTATTATTGATGTCATTCGTGCCATGGGTGGAAAATTGGAAATAACTGAA ATCGATCCAGTCGCTAAATCTGCAACCTTGATTGTTGAGTCTTCTGACTTGAAAGGAACA GAGATTTGTGGCGCTTTGATTCCACGTTTGATTGATGAATTGCCTATTATTGCCCTACTT GCGACCCAAGCCCAAGGTGTAACAGTTATCAAGGATGCTGAGGAGCTCAAGGTCAAGGAA ACAGACCGTATTCAGGTTGTGGCAGACGCCTTAAATAGTATGGGAGCAGATATTACTCCT ACGGCAGATGGGATGATTATCAAAGGAAAATCAGCTCTTCACGGTGCTAGAGTCAATACG TTTGGTGACCACCGTATCGGCATGATGACAGCTATCGCAGCCCTATTGGTTGCAGATGGA GAGGTGGAGCTTGACCGTGCAGAAGCCATCAATACCAGCTATCCTAGTTTCTTTGATGAT TTGGAGAGCTTGATTCATGGCTAA PF00275 EPSP_synthase function transferase activity function transferase activity, transferring alkyl or aryl (other than methyl) groups function 3-phosphoshikimate 1-carboxyvinyltransferase activity function catalytic activity process metabolism process cellular metabolism process amino acid metabolism process amino acid and derivative metabolism process amino acid biosynthesis process aromatic amino acid family biosynthesis process physiological process process aromatic amino acid family biosynthesis, shikimate pathway BE0001381 3-phosphoshikimate 1-carboxyvinyltransferase 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 3-phosphoshikimate 1-carboxyvinyltransferase Amino acid transport and metabolism Phosphoenolpyruvate + 3-phosphoshikimate = phosphate + 5-O-(1-carboxyvinyl)-3-phosphoshikimate aroA Cytoplasm (Probable) None 5.27 46096.0 Escherichia coli (strain K12) GenBank Gene Database X00557 GenBank Protein Database 40966 UniProtKB P0A6D3 UniProt Accession AROA_ECOLI 5- enolpyruvylshikimate-3-phosphate synthase EC 2.5.1.19 EPSP synthase EPSPS >3-phosphoshikimate 1-carboxyvinyltransferase MESLTLQPIARVDGTINLPGSKSVSNRALLLAALAHGKTVLTNLLDSDDVRHMLNALTAL GVSYTLSADRTRCEIIGNGGPLHAEGALELFLGNAGTAMRPLAAALCLGSNDIVLTGEPR MKERPIGHLVDALRLGGAKITYLEQENYPPLRLQGGFTGGNVDVDGSVSSQFLTALLMTA PLAPEDTVIRIKGDLVSKPYIDITLNLMKTFGVEIENQHYQQFVVKGGQSYQSPGTYLVE GDASSASYFLAAAAIKGGTVKVTGIGRNSMQGDIRFADVLEKMGATICWGDDYISCTRGE LNAIDMDMNHIPDAAMTIATAALFAKGTTTLRNIYNWRVKETDRLFAMATELRKVGAEVE EGHDYIRITPPEKLNFAEIATYNDHRMAMCFSLVALSDTPVTILDPKCTAKTFPDYFEQL ARISQAA >1284 bp ATGGAATCCCTGACGTTACAACCCATCGCTCGTGTCGATGGCACTATTAATCTGCCCGGT TCCAAGACCGTTTCTAACCGCGCTTTATTGCTGGCGGCATTAGCACACGGCAAAACAGTA TTAACCAATCTGCTGGATAGCGATGACGTGCGCCATATGCTGAATGCATTAACAGCGTTA GGGGTAAGCTATACGCTTTCAGCCGATCGTACGCGTTGCGAAATTATCGGTAACGGCGGT CCATTACACGCAGAAGGTGCCCTGGAGTTGTTCCTCGGTAACGCCGGAACGGCAATGCGT CCGCTGGCGGCAGCTCTTTGTCTGGGTAGCAATGATATTGTGCTGACCGGTGAGCCGCGT ATGAAAGAACGCCCGATTGGTCATCTGGTGGATGCGCTGCGCCTGGGCGGGGCGAAGATC ACTTACCTGGAACAAGAAAATTATCCGCCGTTGCGTTTACAGGGCGGCTTTACTGGCGGC AACGTTGACGTTGATGGCTCCGTTTCCAGCCAATTCCTCACCGCACTGTTAATGACTGCG CCTCTTGCGCCGGAAGATACGGTGATTCGTATTAAAGGCGATCTGGTTTCTAAACCTTAT ATCGACATCACACTCAATCTGATGAAGACGTTTGGTGTTGAAATTGAAAATCAGCACTAT CAACAATTTGTCGTAAAAGGCGGGCAGTCTTATCAGTCTCCGGGTACTTATTTGGTCGAA GGCGATGCATCTTCGGCTTCTTACTTTCTGGCAGCAGCAGCAATCAAAGGCGGCACTGTA AAAGTGACCGGTATTGGACGTAACAGTATGCAGGGTGATATTCGCTTTGCTGATGTGCTG GAAAAAATGGGCGCGACCATTTGCTGGGGCGATGATTATATTTCCTGCACGCGTGGTGAA CTGAACGCTATTGATATGGATATGAACCATATTCCTGATGCGGCGATGACCATTGCCACG GCGGCGTTATTTGCAAAAGGCACCACCAGGCTGCGCAATATCTATAACTGGCGTGTTAAA GAGACCGATCGCCTGTTTGCGATGGCAACAGAACTGCGTAAAGTCGGCGCGGAAGTGGAA GAGGGGCACGATTACATTCGTATCACTCCTCCGGAAAAACTGAACTTTGCCGAGATCGCG ACATACAATGATCACCGGATGGCGATGTGTTTCTCGCTGGTGGCGTTGTCAGATACACCA GTGACGATTCTTGATCCCAAATGCACGGCCAAAACATTTCCGGATTATTTCGAGCAGCTG GCGCGGATTAGCCAGGCAGCCTGA PF00275 EPSP_synthase function transferase activity function transferase activity, transferring alkyl or aryl (other than methyl) groups function 3-phosphoshikimate 1-carboxyvinyltransferase activity function catalytic activity process amino acid and derivative metabolism process amino acid biosynthesis process aromatic amino acid family biosynthesis process physiological process process aromatic amino acid family biosynthesis, shikimate pathway process metabolism process cellular metabolism process amino acid metabolism "
rdfs:label
"Glyphosate"

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

The resource does not appear as an object

Context graph