Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04028"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
Oxanes
Organic Compounds
Heterocyclic Compounds
Oxanes
Secondary Alcohols
Hemiacetals
Polyols
Polyamines
secondary alcohol
polyol
hemiacetal
ether
polyamine
alcohol
logP
-1.7
ALOGPS
logS
0.76
ALOGPS
Water Solubility
8.48e+02 g/l
ALOGPS
logP
-1.2
ChemAxon
IUPAC Name
(2S,3S,5R,6S)-6-methyloxane-2,3,5-triol
ChemAxon
Traditional IUPAC Name
abequose
ChemAxon
Molecular Weight
148.1571
ChemAxon
Monoisotopic Weight
148.073558872
ChemAxon
SMILES
C[C@@H]1O[C@H](O)[C@@H](O)C[C@H]1O
ChemAxon
Molecular Formula
C6H12O4
ChemAxon
InChI
InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m0/s1
ChemAxon
InChIKey
InChIKey=KYPWIZMAJMNPMJ-FSIIMWSLSA-N
ChemAxon
Polar Surface Area (PSA)
69.92
ChemAxon
Refractivity
33.28
ChemAxon
Polarizability
14.5
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
11.43
ChemAxon
pKa (strongest basic)
-3.2
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
30943
PubChem Compound
46936431
PubChem Substance
46508830
PDB
TYV
BE0001295
Bifunctional tail protein
Enterobacteria phage P22
# 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
Bifunctional tail protein
Non-covalently bound to the neck of the phage capsid and essential for phage adsorption to the bacterial host. It displays endorhamnosidase enzymatic activity, hydrolyzing the alpha-1,3-O- glycosidic linkage between rhamnose and galactose of the O-antigen polysaccharide
9
None
5.25
71858.0
Enterobacteria phage P22
GenBank Gene Database
J02473
UniProtKB
P12528
UniProt Accession
TSPE_BPP22
EC 3.2.1.-
Endorhamnosidase
Late protein gp9
TSP
>Bifunctional tail protein
MTDITANVVVSNPRPIFTESRSFKAVANGKIYIGQIDTDPVNPANQIPVYIENEDGSHVQ
ITQPLIINAAGKIVYNGQLVKIVTVQGHSMAIYDANGSQVDYIANVLKYDPDQYSIEADK
KFKYSVKLSDYPTLQDAASAAVDGLLIDRDYNFYGGETVDFGGKVLTIECKAKFIGDGNL
IFTKLGKGSRIAGVFMESTTTPWVIKPWTDDNQWLTDAAAVVATLKQSKTDGYQPTVSDY
VKFPGIETLLPPNAKGQNITSTLEIRECIGVEVHRASGLMAGFLFRGCHFCKMVDANNPS
GGKDGIITFENLSGDWGKGNYVIGGRTSYGSVSSAQFLRNNGGFERDGGVIGFTSYRAGE
SGVKTWQGTVGSTTSRNYNLQFRDSVVIYPVWDGFDLGADTDMNPELDRPGDYPITQYPL
HQLPLNHLIDNLLVRGALGVGFGMDGKGMYVSNITVEDCAGSGAYLLTHESVFTNIAIID
TNTKDFQANQIYISGACRVNGLRLIGIRSTDGQGLTIDAPNSTVSGITGMVDPSRINVAN
LAEEGLGNIRANSFGYDSAAIKLRIHKLSKTLDSGALYSHINGGAGSGSAYTQLTAISGS
TPDAVSLKVNHKDCRGAEIPFVPDIASDDFIKDSSCFLPYWENNSTSLKALVKKPNGELV
RLTLATL
PF09008
Head_binding
PF09251
PhageP22-tail
"
|
| rdfs:label |
"Tyvelose"
|
| owl:sameAs | |
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object