Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06881"

Predicate	Value (sorted: default)
rdfs:label	"(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group. Organophosphate Esters Organic Compounds Organophosphorus Compounds Organic Phosphoric Acids and Derivatives Organophosphate Esters Organic Phosphoric Acids Acryloyl Compounds Enones Enolates Polyamines Aldehydes acryloyl-group enone ketone polyamine enolate aldehyde carbonyl group logP -0.29 ALOGPS logS -1.4 ALOGPS Water Solubility 8.11e+00 g/l ALOGPS logP 0.24 ChemAxon IUPAC Name {[(1Z)-2-hydroxy-3-oxohex-1-en-1-yl]oxy}phosphonic acid ChemAxon Traditional IUPAC Name [(1Z)-2-hydroxy-3-oxohex-1-en-1-yl]oxyphosphonic acid ChemAxon Molecular Weight 210.1217 ChemAxon Monoisotopic Weight 210.029324596 ChemAxon SMILES CCCC(=O)C(\O)=C\OP(O)(O)=O ChemAxon Molecular Formula C6H11O6P ChemAxon InChI InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4- ChemAxon InChIKey InChIKey=HEBDCWKDNSCZMW-XQRVVYSFSA-N ChemAxon Polar Surface Area (PSA) 104.06 ChemAxon Refractivity 44.89 ChemAxon Polarizability 17.6 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.36 ChemAxon pKa (strongest basic) -4.5 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 46937032 PubChem Substance 99443352 ChemSpider 22376141 PDB 1AE BE0003741 2,3-diketo-5-methylthiopentyl-1-phosphate enolase Geobacillus kaustophilus (strain HTA426) # 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 2,3-diketo-5-methylthiopentyl-1-phosphate enolase Carbohydrate transport and metabolism Catalyzes the enolization of 2,3-diketo-5- methylthiopentyl-1-phosphate (DK-MTP-1-P) into 2-hydroxy-3-keto-5- methylthiopentenyl-1-phosphate (HK-MTPenyl-1-P) mtnW None 5.36 44905.2 Geobacillus kaustophilus (strain HTA426) GeneCards mtnW GenBank Gene Database BA000043 GenBank Protein Database 56378378 UniProtKB Q5L1E2 UniProt Accession MTNW_GEOKA DK-MTP-1-P enolase RLP RuBisCO-like protein >2,3-diketo-5-methylthiopentyl-1-phosphate enolase MSAVMATYLLHDETDIRKKAEGIALGLTIGTWTDLPALEQEQLRKHKGEVVAIEELGESE RVNAYFGKRLKRAIVKIAYPTVNFSADLPALLVTTFGKLSLDGEVRLLDLEFPDEWKRQF PGPRFGIDGIRDRVGVHNRPLLMSIFKGMIGRDLAYLTSELKKQALGGVDLVKDDEILFD SELLPFEKRITEGKAALQEVYEQTGKRTLYAVNLTGKTFALKDKAKRAAELGADVLLFNV FAYGLDVLQALREDEEIAVPIMAHPAFSGAVTPSEFYGVAPSLWLGKLLRLAGADFVLFP SPYGSVALEREQALGIARALTDDQEPFARAFPVPSAGIHPGLVPLIIRDFGLDTIVNAGG GIHGHPDGAIGGGRAFRAAIDAVLAGRPLRAAAAENEALQKAIDRWGVVEVEA >1353 bp GTGGAAAATATCCATGACTTATGGGATCGCGTGCTCGCGGAGATTGAACAAAAAATCAGC AAGCCGAGCTTTGAAACTTGGCTCAAGTCAACAAAAGCCCACTCTTTACGAGGTGACACG CTCGTCATCGTAGCCCCGAACGAGTTTGCTAGAGATTGGCTTGATTCTCGCTACTCTCAT TTGATTGCGGAAACGATCTACACCATCACGGGCGAAGAATTGGCCGTCAAGTTTATCATT CCGCCAAATCAGGATGATGAAGAACTAGAGTTCCAGTCATCTAAGAAAAAGCAACGGAAA CCGTATGAAGAGACAAACGATTTCCCACAAAGCATGTTAAATCCGAAATACACGTTCGAT ACGTTTGTCATCGGCTCCGGCAACCGGTTCGCCCATGCCGCTTCACTGGCGGTCGCTGAG GCTCCGGCCAAAGCATACAACCCCTTGTTTATCTATGGCGGCGTCGGACTTGGAAAAACA CACTTAATGCACGCGATCGGCCATTACGTGATTGAACATAACCCATCGGCGAAAGTGGTC TATTTATCTTCAGAGAAATTTACGAATGAGTTTATTAACGCCATCCGAGACAACCGCCCT GACGACTTTCGCAACAAGTATCGGAACGTTGACGTCCTACTGATCGATGATATTCAGTTT TTGGCCGGAAAAGAACAAACGCAAGAAGAATTTTTCCATACGTTTAATACGCTGCACGAG GAGAGCAAGCAAATCGTCATCTCAAGCGATCGACCGCCGAAAGAAATCCCAACACTCGAA GACCGCTTGCGTTCGCGCTTTGAGTGGGGGCTCATCACCGACATTACGCCGCCTGATTTG GAGACGCGGATCGCTATCCTCCGCAAAAAGGCGAAGGCGGAGGGGTTTGACATTCCAAAC GAGGTAATGCTTTATATCGCCAATCAAATTGACTCGAACATCCGCGAGCTTGAGGGCGCT CTCATTCGCGTCGTCGCTTATTCGTCGCTCATCAACAAAGAGATCACCGCTGACTTGGCA GCAGAGGCATTGAAAGACATCATCCCGAGCGCAAAGCCGAAGGTAATCACGATTCAAGAC ATTCAGCGCGTTGTTGGACAGCATTTCAACATCAAGATGGAAGATTTTAAAGCGAAAAAG CGAACAAAATCGGTCGCGTTCCCTCGGCAAATTGCCATGTATCTCTCCCGCGAACTGACC GACTGTTCGTTGCCGAAAATCGGCGATGAATTTGGGGGACGCGATCATACAACCGTCATC CACGCCCATGAAAAAATATCAAAGCTTTTGCAAACCGATACGCAGCTGCAAAGGCATATA CAAGAGATTCAAGAAAAGCTGAAGCAACTGTGA PF00016 RuBisCO_large component protein complex component ribulose bisphosphate carboxylase complex component ribulose bisphosphate carboxylase complex (sensu Magnoliophyta) function lyase activity function carbon-carbon lyase activity function carboxy-lyase activity function ribulose-bisphosphate carboxylase activity function catalytic activity process metabolism process carbon utilization process carbon utilization by fixation of carbon dioxide process physiological process "

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