Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08704"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.
Amino Sugars
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Amino Sugars
Hexoses
Phenylcarbamates
Oxanes
Secondary Carboxylic Acid Amides
1,2-Diols
Carbamic Acids and Derivatives
Secondary Alcohols
Enolates
Carboxylic Acids
Polyamines
Primary Alcohols
monosaccharide
oxane
benzene
carbamic acid derivative
secondary alcohol
1,2-diol
carboxamide group
secondary carboxylic acid amide
enolate
carboxylic acid
primary alcohol
carboxylic acid derivative
polyamine
amine
alcohol
organonitrogen compound
logP
0.46
ALOGPS
logS
-2.6
ALOGPS
Water Solubility
8.83e-01 g/l
ALOGPS
logP
0.58
ChemAxon
IUPAC Name
[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-pentanamidooxan-2-ylidene]amino N-phenylcarbamate
ChemAxon
Traditional IUPAC Name
[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-pentanamidooxan-2-ylidene]amino N-phenylcarbamate
ChemAxon
Molecular Weight
395.407
ChemAxon
Monoisotopic Weight
395.169250169
ChemAxon
SMILES
[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCCC)[C@@]([H])(O)[C@]1([H])O
ChemAxon
Molecular Formula
C18H25N3O7
ChemAxon
InChI
InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1
ChemAxon
InChIKey
InChIKey=NUNQIQQEEPOGDJ-JDOAOKHLSA-N
ChemAxon
Polar Surface Area (PSA)
149.71
ChemAxon
Refractivity
98.08
ChemAxon
Polarizability
40.8
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
11.81
ChemAxon
pKa (strongest basic)
-0.41
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
ChemSpider
9756768
PDB
VPU
BE0003869
Beta-hexosaminidase
Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
# 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-hexosaminidase
Carbohydrate transport and metabolism
Cleaves GlcNAc linked beta-1,4 to MurNAc tripeptides (By similarity)
nagZ
Cytoplasm (By similarity)
None
5.24
36465.4
Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
GeneCards
nagZ
GenBank Gene Database
AE003852
GenBank Protein Database
9654392
UniProtKB
Q9KU37
UniProt Accession
NAGZ_VIBCH
Beta-N-acetylhexosaminidase
N-acetyl-beta-glucosaminidase
>Beta-hexosaminidase
MGPLWLDVAGYELSAEDREILQHPTVGGVILFGRNYHDNQQLLALNKAIRQAAKRPILIG
VDQEGGRVQRFREGFSRIPPAQYYARAENGVELAEQGGWLMAAELIAHDVDLSFAPVLDM
GFACKAIGNRAFGEDVQTVLKHSSAFLRGMKAVGMATTGKHFPGHGAVIADSHLETPYDE
RETIAQDMAIFRAQIEAGVLDAMMPAHVVYPHYDAQPASGSSYWLKQVLREELGFKGIVF
SDDLSMEGAAVMGGPVERSHQALVAGCDMILICNKREAAVEVLDNLPIMEVPQAEALLKK
QQFSYSELKRLERWQQASANMQRLIEQFSE
>129 bp
TTGAGATATGTGGATCTTTATGTGGGTAGCACGGGCAAAATGTGTGAGGATCTTAGTTAT
CGGTCGAAAAATAATGTGAATAACTTAGATCTTATTCACTGGATCGACGATCCAGCGCTG
GCGATCTGA
PF00933
Glyco_hydro_3
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
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object