Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06830"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
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 polyamine logP 0.15 ALOGPS logS -1.4 ALOGPS Water Solubility 1.10e+01 g/l ALOGPS logP -0.035 ChemAxon IUPAC Name (1-hydroxy-1-phosphonoheptyl)phosphonic acid ChemAxon Traditional IUPAC Name 1-hydroxy-1-phosphonoheptylphosphonic acid ChemAxon Molecular Weight 276.1611 ChemAxon Monoisotopic Weight 276.052775954 ChemAxon SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O ChemAxon Molecular Formula C7H18O7P2 ChemAxon InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14) ChemAxon InChIKey InChIKey=IJEGNOYPWRBKAE-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 135.29 ChemAxon Refractivity 57.59 ChemAxon Polarizability 23.73 ChemAxon Rotatable Bond Count 7 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 0.69 ChemAxon pKa (strongest basic) -5.2 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5276520 PubChem Substance 99443301 ChemSpider 4440481 PDB 028 BE0003570 Geranylgeranyl pyrophosphate synthase Human # 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 Geranylgeranyl pyrophosphate synthase Coenzyme transport and metabolism Catalyzes the trans-addition of the three molecules of IPP onto DMAPP to form geranylgeranyl pyrophosphate, an important precursor of carotenoids and geranylated proteins GGPS1 1q43 Cytoplasm None 6.06 34870.6 Human HUGO Gene Nomenclature Committee (HGNC) GNC:4249 GeneCards GGPS1 GenBank Gene Database AB017971 GenBank Protein Database 4520350 UniProtKB O95749 UniProt Accession GGPPS_HUMAN Dimethylallyltranstransferase Farnesyltranstransferase Geranylgeranyl diphosphate synthase Geranyltranstransferase GGPP synthetase GGPPSase >Geranylgeranyl pyrophosphate synthetase MEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIIIEVTEMLHNAS LLIDDIEDNSKLRRGFPVAHSIYGIPSVINSANYVYFLGLEKVLTLDHPDAVKLFTRQLL ELHQGQGLDIYWRDNYTCPTEEEYKAMVLQKTGGLFGLAVGLMQLFSDYKEDLKPLLNTL GLFFQIRDDYANLHSKEYSENKSFCEDLTEGKFSFPTIHAIWSRPESTQVQNILRQRTEN IDIKKYCVHYLEDVGSFEYTRNTLKELEAKAYKQIDARGGNPELVALVKHLSKMFKEENE PF00348 polyprenyl_synt process primary metabolism process lipid metabolism process cellular lipid metabolism process isoprenoid metabolism process isoprenoid biosynthesis process physiological process process metabolism "
rdfs:label	"(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)"

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

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