Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03564"

PredicateValue (sorted: default)
rdfs:label
"(4r)-2-Methylpentane-2,4-Diol"
rdf:type
drugbank:description
" experimental This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Tertiary Alcohols Organic Compounds Organooxygen Compounds Alcohols and Polyols Tertiary Alcohols Secondary Alcohols Polyamines secondary alcohol polyamine logP 0.34 ALOGPS logS 0.14 ALOGPS Water Solubility 1.62e+02 g/l ALOGPS logP -0.035 ChemAxon IUPAC Name (4S)-2-methylpentane-2,4-diol ChemAxon Traditional IUPAC Name 2-methyl-2,4-pentanediol ChemAxon Molecular Weight 118.1742 ChemAxon Monoisotopic Weight 118.099379692 ChemAxon SMILES C[C@H](O)CC(C)(C)O ChemAxon Molecular Formula C6H14O2 ChemAxon InChI InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1 ChemAxon InChIKey InChIKey=SVTBMSDMJJWYQN-YFKPBYRVSA-N ChemAxon Polar Surface Area (PSA) 40.46 ChemAxon Refractivity 32.89 ChemAxon Polarizability 13.54 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 15.12 ChemAxon pKa (strongest basic) -2.5 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 5288834 PubChem Substance 46507494 PDB MRD BE0003131 1-pyrroline-5-carboxylate dehydrogenase Thermus thermophilus unknown 1-pyrroline-5-carboxylate dehydrogenase Involved in 1-pyrroline-5-carboxylate dehydrogenase activity None 5.51 57046.0 Thermus thermophilus UniProtKB P83849 UniProt Accession P83849_THETH >1-pyrroline-5-carboxylate dehydrogenase MTVEPFRNEPIETFQTEEARRAMREALRRVREEFGRHYPLYIGGEWVDTKERMVSLNPSA PSEVVGTTAKAGKAEAEAALEAAWKAFKTWKDWPQEDRSRLLLKAAALMRRRKRELEATL VYEVGKNWVEASADVAEAIDFIEYYARAALRYRYPAVEVVPYPGEDNESFYVPLGAGVVI APWNFPVAIFTGMIVGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVG EEVGAYLVEHPRIRFINFTGSLEVGLKIYEAAGRLAPGQTWFKRAYVETGGKNAIIVDET ADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEPVLERVLKRAERLSVGPAEENPDL GPVVSAEQERKVLSYIEIGKNEGQLVLGGKRLEGEGYFIAPTVFTEVPPKARIAQEEIFG PVLSVIRVKDFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALV GVQPFGGFKLSGTNAKTGALDYLRLFLEMKAVAERF PF00171 Aldedh function 1-pyrroline-5-carboxylate dehydrogenase activity function oxidoreductase activity function oxidoreductase activity, acting on the CH-NH group of donors function oxidoreductase activity, acting on the CH-NH group of donors, NAD or NADP as acceptor function catalytic activity process metabolism process cellular metabolism process amino acid metabolism process amino acid and derivative metabolism process glutamine family amino acid metabolism process proline metabolism process physiological process process proline biosynthesis BE0001225 Xylose isomerase Streptomyces rubiginosus # 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 Xylose isomerase Carbohydrate transport and metabolism Involved in D-xylose catabolism xylA Cytoplasm None 4.78 43228.0 Streptomyces rubiginosus GenBank Gene Database M73789 GenBank Protein Database 153534 UniProtKB P24300 UniProt Accession XYLA_STRRU EC 5.3.1.5 >Xylose isomerase MNYQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVESVRRLAELGAHGVTFHDDDLIP FGSSDSEREEHVKRFRQALDDTGMKVPMATTNLFTHPVFKDGGFTANDRDVRRYALRKTI RNIDLAVELGAETYVAWGGREGAESGGAKDVRDALDRMKEAFDLLGEYVTSQGYDIRFAI EPKPNEPRGDILLPTVGHALAFIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGK LFHIDLNGQNGIKYDQDLRFGAGDLRAAFWLVDLLESAGYSGPRHFDFKPPRTEDFDGVW ASAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELARPTAADGLQALLDDRSAFEEF DVDAAAARGMAFERLDQLAMDHLLGARG >1167 bp ATGAACTACCAGCCCACCCCCGAGGACAGGTTCACCTTCGGACTGTGGACCGTCGGCTGG CAGGGACGGGACCCCTTCGGTGACGCCACGCGGCGCGCCCTCGACCCGGTCGAGTCGGTG CGGCGGCTGGCCGAGCTGGGCGCCCACGGCGTCACGTTCCACGACGACGACCTCATCCCC TTCGGCTCCAGCGACAGCGAGCGCGAGGAGCACGTCAAGCGGTTCCGGCAGGCGCTGGAC GACACCGGCATGAAGGTGCCGATGGCCACCACCAACCTGTTCACCCACCCGGTGTTCAAG GACGGCGGCTTCACCGCCAACGACCGCGACGTGCGCCGCTACGCCCTGCGCAAGACCATC CGCAACATCGACCTCGCGGTCGAGCTCGGCGCCGAGACCTATGTGGCCTGGGGCGGCCGC GAGGGTGCCGAGTCGGGTGGCGCCAAGGACGTGCGGGACGCCCTCGACCGCATGAAGGAG GCCTTCGACCTGCTCGGCGAGTACGTCACCTCCCAGGGCTACGACATCCGCTTCGCCATC GAGCCCAAGCCGAACGAGCCGCGCGGCGACATCCTGCTCCCCACCGTCGGCCACGCCCTG GCGTTCATCGAGCGCCTGGAGCGACCGGAGCTGTACGGCGTGAACCCCGAGGTCGGCCAC GAGCAGATGGCCGGGCTGAACTTCCCGCACGGCATCGCGCAGGCGCTGTGGGCGGGCAAG CTGTTCCACATCGACCTCAACGGCCAGAACGGCATCAAGTACGACCAGGACCTCCGCTTC GGCGCGGGCGACCTGCGGGCCGCGTTCTGGCTGGTGGACCTGCTGGAGTCGGCCGGCTAC AGCGGCCCGCGGCACTTCGACTTCAAGCCGCCGCGGACCGAGGACTTCGACGGGGTGTGG GCCTCGGCGGCCGGCTGCATGCGCAACTACCTGATCCTCAAGGAGCGTGCGGCGGCCTTC CGCGCCGACCCCGAGGTGCAGGAGGCGCTGCGCGCGTCCCGTCTGGACGAGCTGGCCCGG CCCACGGCGGCCGACGGTCTGCAGGCCCTGCTCGACGACCGGTCCGCCTTCGAGGAGTTC GACGTCGACGCGGCGGCGGCCCGTGGGATGGCCTTCGAGCGCCTGGACCAGCTGGCGATG GACCACCTGCTGGGCGCCCGGGGCTGA PF01261 AP_endonuc_2 function isomerase activity function intramolecular oxidoreductase activity function intramolecular oxidoreductase activity, interconverting aldoses and ketoses function xylose isomerase activity function catalytic activity process metabolism process macromolecule metabolism process carbohydrate metabolism process physiological process "
owl:sameAs

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

The resource does not appear as an object

Context graph