Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03211"

Predicate	Value (sorted: none)
drugbank:description	" experimental This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid. Organic Phosphonic Acids Organic Compounds Organophosphorus Compounds Organic Phosphonic Acids and Derivatives Organic Phosphonic Acids Polyamines Enolates Aldehydes enolate polyamine aldehyde logP -0.85 ALOGPS logS -1 ALOGPS Water Solubility 1.54e+01 g/l ALOGPS logP -1 ChemAxon IUPAC Name (3-methylidene-4-oxobutyl)phosphonic acid ChemAxon Traditional IUPAC Name 3-methylidene-4-oxobutylphosphonic acid ChemAxon Molecular Weight 164.0963 ChemAxon Monoisotopic Weight 164.023845288 ChemAxon SMILES OP(O)(=O)CCC(=C)C=O ChemAxon Molecular Formula C5H9O4P ChemAxon InChI InChI=1S/C5H9O4P/c1-5(4-6)2-3-10(7,8)9/h4H,1-3H2,(H2,7,8,9) ChemAxon InChIKey InChIKey=UBLMBCUBDKMVMQ-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 74.6 ChemAxon Refractivity 36.29 ChemAxon Polarizability 13.91 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 1.8 ChemAxon pKa (strongest basic) -4.5 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 4628690 PubChem Substance 46509067 PDB CYX BE0001536 Glyceraldehyde-3-phosphate dehydrogenase, glycosomal Trypanosoma cruzi # 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 Glyceraldehyde-3-phosphate dehydrogenase, glycosomal Carbohydrate transport and metabolism D-glyceraldehyde 3-phosphate + phosphate + NAD(+) = 3-phospho-D-glyceroyl phosphate + NADH Glycosome None 9.01 39061.0 Trypanosoma cruzi GenBank Gene Database X52898 GenBank Protein Database 10609 UniProtKB P22513 UniProt Accession G3PG_TRYCR EC 1.2.1.12 GAPDH >Glyceraldehyde-3-phosphate dehydrogenase, glycosomal MPIKVGINGFGRIGRMVFQALCEDGLLGTEIDVVAVVDMNTDAEYFAYQMRYDTVHGKFK YEVTTTKSSPSVAKDDTLVVNGHRILCVKAQRNPADLPWGKLGVEYVIESTGLFTAKAAA EGHLRGGARKVVISAPASGGAKTLVMGVNHHEYNPSEHHVVSNASCTTNCLAPIVHVLVK EGFGVQTGLMTTIHSYTATQKTVDGVSVKDWRGGRAAAVNIIPSTTGAAKAVGMVIPSTQ GKLTGMSFRVPTPDVSVVDLTFTAARDTSIQEIDAALKRASKTYMKGILGYTDEELVSAD FINDNRSSIYDSKATLQNNLPKERRFFKIVSWYDNEWGYSHRVVDLVRHMASKDRSARL >1080 bp ATGCCCATCAAGGTCGGTATCAACGGCTTTGGCCGCATCGGACGCATGGTCTTTCAGGCC TTGTGTGAGGACGGCCTTCTCGGGACGGAGATTGACGTCGTGGCGGTGGTCGATATGAAC ACGGATGCCGAGTACTTTGCGTACCAGATGCGTTACGACACCGTGCATGGCAAGTTCAAG TACGAGGTGACGACGACGAAGAGCAGCCCCTCCGTTGCGAAGGACGACACGCTTGTGGTG AATGGCCACCGTATCCTGTGCGTGAAGGCGCAGCGGAACCCGGCGGATCTCCCATGGGGC AAGCTTGGTGTGGAGTACGTAATTGAATCAACGGGCCTGTTCACCGCCAAGGCGGCGGCG GAGGGCCACCTGCGCGGCGGTGCACGGAAGGTCGTCATCAGCGCTCCCGCCTCTGGTGGC GCCAAGACACTTGTGATGGGCGTGAACCATCACGAGTACAACCCCAGTGAGCACCACGTT GTGTCTAACGCGTCATGCACGACCAATTGCCTTGCGCCCATTGTGCACGTCCTGGTGAAG GAGGGATTCGGCGTGCAGACCGGCCTCATGACGACGATCCACTCGTACACAGCAACGCAG AAGACGGTGGACGGTGTGTCGGTGAAGGACTGGCGTGGCGGTCGTGCGGCTGCTGTCAAC ATCATTCCGAGCACGACTGGTGCGGCGAAGGCGGTGGGCATGGTGATTCCGAGCACCCAG GGCAAGCTGACGGGCATGTCTTTTCGTGTCCCCACCCCGGACGTGTCCGTGGTGGATCTC ACCTTCACTGCGGCGCGCGACACCAGCATACAGGAGATCGACGCCGCCCTGAAGCGCGCG TCTAAGACTTACATGAAAGGAATTCTCGGCTACACGGACGAGGAGCTTGTGAGTGCAGAC TTCATTAATGACAACCGCAGCTCCATTTACGACTCCAAGGCAACGCTGCAGAACAACCTG CCGAAGGAGCGCCGCTTCTTCAAGATTGTGTCGTGGTACGACAACGAGTGGGGATACTCC CACCGCGTGGTGGACCTTGTACGCCACATGGCCTCGAAGGATCGTTCGGCAAGGTTGTAG PF02800 Gp_dh_C PF00044 Gp_dh_N function catalytic activity function NAD binding function oxidoreductase activity, acting on the aldehyde or oxo group of donors function oxidoreductase activity function oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor function cofactor binding function glyceraldehyde-3-phosphate dehydrogenase activity function coenzyme binding function glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) activity function binding process glucose catabolism process glycolysis process metabolism process cellular metabolism process alcohol metabolism process monosaccharide metabolism process hexose metabolism process glucose metabolism process physiological process "
rdfs:label	"(3-Formyl-but-3-Enyl)-Phosphonic Acid"
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT01081

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

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