Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02658"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
O-glycosyl Compounds
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Hexoses
Nitrophenols and Derivatives
Nitrobenzenes
Phenol Ethers
Alkyl Aryl Ethers
Oxanes
Fluorohydrins
1,2-Diols
Nitro Compounds
Secondary Alcohols
Nitronic Acids
Organic Oxoazanium Compounds
Primary Alcohols
Polyamines
Acetals
Organofluorides
Alkyl Fluorides
nitrophenol derivative
nitrobenzene
phenol ether
alkyl aryl ether
benzene
monosaccharide
oxane
nitro compound
1,2-diol
halohydrin
nitronic acid
secondary alcohol
fluorohydrin
primary alcohol
polyamine
ether
organic oxoazanium
acetal
amine
organohalogen
organofluoride
alkyl halide
alkyl fluoride
organonitrogen compound
alcohol
logP
0.38
ALOGPS
logS
-2.4
ALOGPS
Water Solubility
1.48e+00 g/l
ALOGPS
logP
0.17
ChemAxon
IUPAC Name
(2R,3S,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
ChemAxon
Traditional IUPAC Name
(2R,3S,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
ChemAxon
Molecular Weight
348.238
ChemAxon
Monoisotopic Weight
348.060508229
ChemAxon
SMILES
[H][C@]1(CO)O[C@@]([H])(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[C@]([H])(F)[C@@]([H])(O)[C@]1([H])O
ChemAxon
Molecular Formula
C12H13FN2O9
ChemAxon
InChI
InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10-,11-,12-/m1/s1
ChemAxon
InChIKey
InChIKey=UFSBFVZQJZMIOU-LZQZFOIKSA-N
ChemAxon
Polar Surface Area (PSA)
170.79
ChemAxon
Refractivity
73.14
ChemAxon
Polarizability
28.94
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
12.53
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
445227
PubChem Substance
46508582
ChemSpider
392924
PDB
NFG
BE0001804
Beta-glucosidase A
Paenibacillus polymyxa
# 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
# 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
Beta-glucosidase A
Carbohydrate transport and metabolism
BglA is intracellular and cleaves cellobiose probably through inorganic phosphate mediated hydrolysis
bglA
Cytoplasmic
None
4.97
51650.0
Paenibacillus polymyxa
GenBank Gene Database
M60210
GenBank Protein Database
142580
UniProtKB
P22073
UniProt Accession
BGLA_PAEPO
Amygdalase
Beta-D- glucoside glucohydrolase
BGA
Cellobiase
EC 3.2.1.21
Gentiobiase
>Beta-glucosidase A
MTIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHR
YEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLY
HWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVH
APGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACA
RTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSV
NRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDE
VVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVD
FRTQVRTPKESYYWYRNVVSNNWLETRR
>1347 bp
ATGACTATTTTTCAATTTCCGCAGGACTTTATGTGGGGTACCGCAACGGCCGCCTACCAA
ATCGAGGGGGCTTACCAGGAGGATGGAAGAGGGTTGTCGATCTGGGATACCTTTGCCCAT
ACGCCTGGCAAAGTGTTCAACGGTGACAACGGCAATGTAGCTTGTGACAGCTATCATCGT
TACGAAGAAGATATCCGTCTCATGAAGGAACTGGGCATTCGTACATATCGTTTCTCGGTG
TCCTGGCCACGTATATTCCCTAATGGTGATGGTGAAGTCAATCAAGAGGGATTGGACTAT
TATCATCGTGTAGTTGATTTGTTGAATGACAACGGAATTGAACCGTTTTGTACACTGTAT
CACTGGGATCTGCCTCAGGCGCTACAGGATGCCGGAGGATGGGGAAATCGTCGCACAATT
CAGGCATTTGTCCAGTTTGCGGAAACGATGTTCCGTGAGTTTCACGGTAAAATACAGCAT
TGGCTGACATTCAATGAACCGTGGTGTATCGCCTTTTTATCCAATATGCTGGGAGTTCAT
GCCCCGGGTCTGACGAATCTCCAGACTGCGATTGATGTAGGACATCATCTGCTGGTTGCG
CATGGCCTATCTGTACGCCGATTCCGCGAGCTTGGCACCAGTGGCCAGATCGGTATCGCC
CCAAATGTCTCCTGGGCTGTTCCTTACAGCACTTCTGAGGAAGATAAAGCGGCTTGTGCA
CGCACGATTTCCCTGCACAGTGACTGGTTTCTCCAGCCTATTTATCAAGGCTCGTATCCT
CAGTTTTTGGTAGACTGGTTTGCGGAACAGGGAGCCACCGTACCTATACAAGATGGAGAT
ATGGACATTATCGGTGAGCCAATTGATATGATTGGTATCAATTATTATAGTATGTCGGTT
AATCGATTTAATCCGGAGGCAGGATTTCTTCAATCTGAAGAAATCAATATGGGACTACCT
GTAACAGATATCGGCTGGCCGGTGGAGTCACGTGGGCTGTATGAGGTACTACATTATTTG
CAAAAATACGGTAACATCGATATTTACATCACAGAGAACGGGGCTTGTATCAATGATGAG
GTCGTAAACGGAAAGGTGCAAGATGATCGTCGAATTTCCTACATGCAGCAGCATTTGGTG
CAGGTGCACCGGACAATTCATGATGGTCTTCATGTTAAAGGCTATATGGCATGGTCACTT
TTGGACAATTTTGAGTGGGCAGAGGGGTATAATATGAGATTTGGCATGATTCATGTCGAT
TTTCGCACACAGGTCCGCACCCCCAAGGAAAGTTACTATTGGTATCGAAATGTAGTAAGT
AATAACTGGTTGGAGACTAGACGCTAA
PF00232
Glyco_hydro_1
function
hydrolase activity
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
catalytic activity
process
macromolecule metabolism
process
carbohydrate metabolism
process
physiological process
process
metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object