Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06903"

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PredicateValue (sorted: none)
rdf:type
ns1:description
" experimental This compound belongs to the triquinane sesquiterpenes. Triquinane Sesquiterpenes Organic Compounds Lipids Prenol Lipids Sesquiterpenes Polyamines Enolates Carboxylic Acids enolate polyamine carboxylic acid carboxylic acid derivative logP 3.59 ALOGPS logS -3.8 ALOGPS Water Solubility 4.15e-02 g/l ALOGPS logP 3.29 ChemAxon IUPAC Name (1S,2S,5S,8R)-2,10,10-trimethyltricyclo[6.3.0.0^{1,5}]undec-6-ene-6-carboxylic acid ChemAxon Traditional IUPAC Name (1S,2S,5S,8R)-2,10,10-trimethyltricyclo[6.3.0.0^{1,5}]undec-6-ene-6-carboxylic acid ChemAxon Molecular Weight 234.334 ChemAxon Monoisotopic Weight 234.161979948 ChemAxon SMILES [H][C@]1(C)CC[C@]2([H])C(=C[C@@]3([H])CC(C)(C)C[C@@]123)C(O)=O ChemAxon Molecular Formula C15H22O2 ChemAxon InChI InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15-/m0/s1 ChemAxon InChIKey InChIKey=DCFDRCCHOOORSB-JOXOIDLHSA-N ChemAxon Polar Surface Area (PSA) 37.3 ChemAxon Refractivity 67.41 ChemAxon Polarizability 26.71 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 4.94 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 46937034 PubChem Substance 99443374 PDB 1PL BE0003748 1-deoxypentalenic acid 11-beta-hydroxylase Streptomyces avermitilis (strain ATCC 31267 / DSM 46492 / JCM 5070 / NCIMB 12804 / NRRL 8165 / MA-4680) # 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 1-deoxypentalenic acid 11-beta-hydroxylase ptlH None 5.68 32264.0 Streptomyces avermitilis (strain ATCC 31267 / DSM 46492 / JCM 5070 / NCIMB 12804 / NRRL 8165 / MA-4680) GeneCards ptlH GenBank Gene Database BA000030 GenBank Protein Database 29603637 UniProtKB Q82IZ1 UniProt Accession PTLH_STRAW Fe(II)/alpha-ketoglutarate dependent hydroxylase >1-deoxypentalenic acid 11-beta hydroxylase MTNVTGDYTDCTPLLGDRAALDSFYEEHGYLFLRNVLDRDLVKTVAEQMREGLVALGAAD PHATLEELTIDSFESVDEVAMHDYVKYDAFWNNPSTIKVFEQVFGEPVFVFLSTTIRYYP SQAGSEEPSFHYLTPFHQDGFYIGPNQDFRTFWIPLIRTTRESGGVALADGSHRRGKRDH VLNESFRRFGHPVRGIPPTEVSEDEHLLHSPMEPGDILLFHAHMCHKSIPNLSKDPRLMR MSMDTRVQPAKSHRGFNAMTPWTESAKDASKGIMAKITGTPTDVE >234 bp GTGCCCCCTCAGGGAGCCCGTGGCACGATCGTGTCAGCTACCGGGTCCGGCAAAACGAGC ATGGCCGCCGCGAGCACGCTGAACTGCTTCCCCGAAGGCCGGATCCTCGTGACCGTGCCG ACCCTGGACCTGCTCGCACAGACCGCCCAGGCGTGGCGGGCAGTCGGCCACCACTCCCCC ATGATCGCGGTGTGCTCGCTGGAGAACGACCCAGTGCTGAACGAGCGGACCTGA PF05721 PhyH "
rdfs:label
"(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid"

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

The resource does not appear as an object

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