Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03586"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"5(R)-5-Fluoro-Beta-D-Xylopyranosyl-Enzyme Intermediate"
|
| drugbank:description |
"
experimental
This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.
Hexoses
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Oxanes
Fluorohydrins
Secondary Alcohols
1,2-Diols
Polyamines
Ethers
Alkyl Fluorides
Organofluorides
oxane
1,2-diol
halohydrin
fluorohydrin
polyol
secondary alcohol
polyamine
ether
organohalogen
organofluoride
alcohol
alkyl halide
alkyl fluoride
logP
-1.5
ALOGPS
logS
0.38
ALOGPS
Water Solubility
4.41e+02 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate
ChemAxon
Traditional IUPAC Name
(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate
ChemAxon
Molecular Weight
167.1124
ChemAxon
Monoisotopic Weight
167.035576571
ChemAxon
SMILES
O[C@H]1[C@H](O)[C@@H]([O-])O[C@@H](F)[C@@H]1O
ChemAxon
Molecular Formula
C5H8FO5
ChemAxon
InChI
InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5+/m1/s1
ChemAxon
InChIKey
InChIKey=CSWSGZBYLQUXQI-VQOCEVNASA-N
ChemAxon
Polar Surface Area (PSA)
92.98
ChemAxon
Refractivity
40.16
ChemAxon
Polarizability
13.09
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
11.18
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936721
PubChem Substance
46505913
PDB
XYF
BE0001920
Alpha-xylosidase
Escherichia coli (strain K12)
# 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
Alpha-xylosidase
Carbohydrate transport and metabolism
yicI
Cytoplasmic
None
5.61
88080.0
Escherichia coli (strain K12)
GenBank Gene Database
L10328
GenBank Protein Database
290506
UniProtKB
P31434
UniProt Accession
XYLS_ECOLI
>Putative family 31 glucosidase yicI
MKISDGNWLIQPGLNLIHPLQVFEVEQQDNEMVVYAAPRDVRERTWQLDTPLFTLRFFSP
QEGIVGVRIEHFQGALNNGPHYPLNILQDVKVTIENTERYAEFKSGNLSARVSKGEFWSL
DFLRNGERITGSQVKNNGYVQDTNNQRNYMFERLDLGVGETVYGLGERFTALVRNGQTVE
TWNRDGGTSTEQAYKNIPFYMTNRGYGVLVNHPQCVSFEVGSEKVSKVQFSVESEYLEYF
VIDGPTPKAVLDRYTRFTGRPALPPAWSFGLWLTTSFTTNYDEATVNSFIDGMAERNLPL
HVFHFDCFWMKAFQWCDFEWDPLTFPDPEGMIRRLKAKGLKICVWINPYIGQKSPVFKEL
QEKGYLLKRPDGSLWQWDKWQPGLAIYDFTNPDACKWYADKLKGLVAMGVDCFKTDFGER
IPTDVQWFDGSDPQKMHNHYAYIYNELVWNVLKDTVGEEEAVLFARSASVGAQKFPVHWG
GDCYANYESMAESLRGGLSIGLSGFGFWSHDIGGFENTAPAHVYKRWCAFGLLSSHSRLH
GSKSYRVPWAYDDESCDVVRFFTQLKCRMMPYLYREAARANARGTPMMRAMMMEFPDDPA
CDYLDRQYMLGDNVMVAPVFTEAGDVQFYLPEGRWTHLWHNDELDGSRWHKQQHGFLSLP
VYVRDNTLLALGNNDQRPDYVWHEGTAFHLFNLQDGHEAVCEVPAADGSVIFTLKAARTG
NTITVTGAGEAKNWTLCLRNVVKVNGLQDGSQAESEQGLVVKPQGNALTITL
>2319 bp
TTACAACGTAATTGTCAGCGCATTCCCTTGAGGCTTCACCACCAGCCCCTGCTCACTTTC
AGCCTGCGAACCGTCTTGCAGACCATTTACTTTCACAACATTGCGCAGGCACAGTGTCCA
GTTCTTCGCCTCGCCCGCACCAGTCACAGTAATCGTGTTGCCAGTACGTGCTGCTTTTAA
AGTAAAGATCACCGATCCGTCAGCAGCGGGCACTTCACAGACGGCTTCATGCCCGTCTTG
CAGATTGAAGAGGTGGAATGCCGTGCCTTCGTGCCACACGTAATCGGGACGTTGATCGTT
GTTGCCCAGCGCCAGTAGAGTGTTATCACGCACATAAACGGGCAGACTCAGGAAGCCGTG
CTGCTGTTTATGCCAGCGACTACCGTCGAGTTCATCGTTGTGCCACAGGTGTGTCCAGCG
ACCTTCCGGCAGGTAGAACTGCACATCGCCCGCTTCAGTGAACACCGGCGCAACCATCAC
GTTGTCGCCTAACATGTATTGACGGTCAAGGTAATCACAAGCCGGATCGTCCGGGAACTC
CATCATCATGGCCCGCATCATCGGCGTACCCCGCGCGTTCGCACGCGNAGCTTCACGATA
CAGATACGGCATCATGCGGCATTTCAGTTGCGTGAAGAAGCGCACCACATCACAGGACTC
ATCATCGTAGGCCCACGNNACACGATAAGATTTGCTACCGTGTAAACGGCTATGGCTGGA
GAGCAAACCAAACGCGCACCAGCGTTTGTAAACGTGCGCCGGAGCGGTATTTTCAAAGCC
GCCGATATCGTGGCTCCAGAAGCCAAAACCTGAAAGGCCAATAGACAAACCACCGCGCAG
GCTTTCCGCCATTGATTCGTAGTTAGCGTAACAATCGCCACCCCAGTGTACCGGGAATTT
CTGCGCACCGACGGAGGCCGAGCGGGCAAACAAGACAGCTTCTTCCTCACCAACGGTGTC
CTTGAGCACGTTCCACACCAGTTCGTTGTAGATGTACGCATAATGGTTATGCATTTTCTG
CGGATCGGAACCGTCAAACCACTGAACATCAGTTGGGATACGTTCGCCAAAGTCGGTCTT
AAAGCAATCAACGCCCATCGCGACCAGACCTTTCAGTTTGTCGGCGTACCATTTGCAGGC
ATCCGGATTGGTAAAGTCATAAATCGCCAGACCTGGCTGCCATTTATCCCACTGCCATAG
CGAACCGTCCGGGCGTTTGAGTAAATAGCCTTTCTCTTGTAACTCTTTAAAGACGGGGGA
TTTTTGACCGATATAGGGGTTAATCCAGACGCAGATTTTCAGTCCTTTCGCTTTCAGGCG
GCGGATCATCCCTTCCGGGTCAGGGAAAGTCAGCGGGTCCCACTCAAAATCGCACCACTG
GAAGGCTTTCATCCAGAAACAGTCAAAGTGGAAAACATGCAGCGGCAGATTGCGTTCCGC
CATACCATCGATAAAGCTGTTTACCGTCGCTTCGTCGTAGTTGGTGGTAAATGAAGTGGT
TANNCACAGGCCGAAGGACCACGCGGGCGNCANNGCCGGACGACCAGTAAAGCGGGTATA
ACGATCAAGTACCGCTTTCGGCGTCGGGCCGTCGATAACAAAGTATTCGAGATATTCACT
CTCAACGCTGAACTGCACTTTGGAGACTTTCTCCGATCCCACTTCAAAAGAGACACACTG
GGGATGATTGACCAGTACCCCATAACCACGGTTAGTCATGTAGAACGGGATATTTTTATA
CGCCTGTTCAGTACTTGTGCCGCCGTCCCGGTTCCAGGTCTCTACCGTCTGGCCATTGCG
CACCAGGGCAGTAAAGCGCTCTCCCAGACCGTAAACTGTTTCGCCAACGCCAAGATCAAG
CCGCTCAAACATATAATTGCGTTGATTATTCGTGTCCTGCACGTAGCCATTATTTTTCAC
CTGACTACCGGTAATACGTTCGCCGTTGCGCAGAAAATCCAGTGACCAGAACTCACCTTT
GCTGACACGCGCGCTTAAGTTGCCACTTTTAAACTCAGCATAACGTTCTGTGTTTTCGAT
TGTGACCTTCACGTCCTGCAAAATATTGAGCGGATAATGAGGACCGTTATTCAGCGCCCC
CTGAAAATGCTCAATCCGCACACCGACAATACCTTCCTGTGGGGAGAAAAAGCGCAACGT
AAATAAAGGCGTATCAAGCTGCCAGGTACGTTCACGCACATCACGGGGGGCAGCATAGAC
CACCATTTCATTATCCTGCTGTTCAACCTCGAACACCTGAAGCGGGTGAATCAAATTGAG
GCCAGGTTGAATCAACCAGTTTCCATCGCTAATTTTCAT
PF01055
Glyco_hydro_31
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
catalytic activity
function
hydrolase activity
process
carbohydrate metabolism
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
| rdf:type | |
| 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