Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02172"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,5-Dideoxy-2,5-Imino-D-Glucitol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-member saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
Pyrrolidines
Organic Compounds
Heterocyclic Compounds
Pyrrolidines
Secondary Alcohols
1,2-Diols
1,2-Aminoalcohols
Dialkylamines
Primary Alcohols
Polyamines
1,2-aminoalcohol
1,2-diol
secondary alcohol
secondary amine
secondary aliphatic amine
polyamine
primary alcohol
alcohol
amine
organonitrogen compound
logP
-2
ALOGPS
logS
0.3
ALOGPS
Water Solubility
3.23e+02 g/l
ALOGPS
logP
-2.9
ChemAxon
IUPAC Name
(2S,3S,4S,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
ChemAxon
Traditional IUPAC Name
(2S,3S,4S,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
ChemAxon
Molecular Weight
163.1717
ChemAxon
Monoisotopic Weight
163.084457909
ChemAxon
SMILES
OC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C6H13NO4
ChemAxon
InChI
InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m0/s1
ChemAxon
InChIKey
InChIKey=PFYHYHZGDNWFIF-BXKVDMCESA-N
ChemAxon
Polar Surface Area (PSA)
92.95
ChemAxon
Refractivity
36.57
ChemAxon
Polarizability
15.9
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
13.18
ChemAxon
pKa (strongest basic)
8.88
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
11073745
PubChem Substance
46507754
ChemSpider
1428
PDB
DIG
BE0001220
Xylose isomerase
Arthrobacter sp. (strain NRRL B3728)
# 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
Xylose isomerase
Carbohydrate transport and metabolism
D-xylose = D-xylulose
xylA
Cytoplasm
None
4.73
43292.0
Arthrobacter sp. (strain NRRL B3728)
GenBank Gene Database
X59466
GenBank Protein Database
39059
UniProtKB
P12070
UniProt Accession
XYLA_ARTS7
EC 5.3.1.5
>Xylose isomerase
MSVQPTPADHFTFGLWTVGWTGADPFGVATRKNLDPVEAVHKLAELGAYGITFHDNDLIP
FDATEAEREKILGDFNQALKDTGLKVPMVTTNLFSHPVFKDGGFTSNDRSIRRFALAKVL
HNIDLAAEMGAETFVMWGGREGSEYDGSKDLAAALDRMREGVDTAAGYIKDKGYNLRIAL
EPKPNEPRGDIFLPTVGHGLAFIEQLEHGDIVGLNPETGHEQMAGLNFTHGIAQALWAEK
LFHIDLNGQRGIKYDQDLVFGHGDLTSAFFTVDLLENGFPNGGPKYTGPRHFDYKPSRTD
GYDGVWDSAKANMSMYLLLKERALAFRADPEVQEAMKTSGVFELGETTLNAGESAADLMN
DSASFAGFDAEAAAERNFAFIRLNQLAIEHLLGSR
>1188 bp
ATGAGCGTTCAGCCGACCCCTGCAGACCACTTCACCTTTGGCCTCTGGACCGTAGGATGG
ACCGGCGCCGACCCATTCGGTGTCGCCACCCGCAAGAACCTGGACCCGGTAGAAGCCGTC
CACAAGCTGGCCGAGCTCGGCGCCTACGGCATCACCTTCCACGACAATGACCTGATTCCT
TTTGACGCCACCGAGGCAGAGCGCGAAAAGATCCTTGGTGACTTCAACCAGGCGCTGAAG
GACACCGGCCTGAAGGTCCCAATGGTGACCACCAACCTGTTCAGCCACCCGGTCTTCAAG
GACGGCGGCTTCACCTCTAACGACCGCTCGATCCGTCGTTTTGCACTGGCTAAGGTCCTG
CACAACATCGACTTGGCAGCCGAGATGGGCGCCGAAACCTTCGTCATGTGGGGCGGGCGC
GAAGGCAGCGAATACGACGGTTCCAAGGACCTGGCCGCAGCACTTGATCGCATGCGCGAA
GGCGTGGACACGGCAGCTGGCTACATCAAGGACAAGGGTTACAACCTGCGCATCGCGCTG
GAGCCAAAGCCAAATGAACCACGCGGCGACATCTTCCTGCCTACCGTCGGCCACGGCCTG
GCCTTCATCGAGCAGCTGGAGCACGGCGACATCGTCGGCCTGAACCCAGAAACCGGCCAC
GAGCAGATGGCCGGCCTGAACTTCACCCACGGCATCGCTCAGGCACTGTGGGCCGAGAAG
CTGTTCCACATTGACCTCAACGGCCAGCGCGGCATCAAGTACGACCAGGACCTGGTCTTC
GGCCACGGCGATCTGACCAGCGCGTTCTTCACCGTAGACCTGCTGGAAAACGGCTTCCCT
AACGGCGGACCAAAGTACACCGGCCCACGCCACTTCGACTACAAGCCATCGCGCACCGAC
GGCTACGACGGCGTGTGGGACTCGGCCAAGGCCAACATGTCCATGTACCTGCTGCTCAAG
GAACGTGCCCTGGCCTTCCGTGCGGATCCAGAGGTACAGGAAGCCATGAAGACCTCGGGC
GTCTTCGAACTGGGCGAAACCACCCTGAACGCCGGGGAAAGCGCAGCGGATCTGATGAAT
GATTCCGCGAGCTTCGCAGGCTTTGACGCCGAGGCCGCCGCAGAGCGCAACTTCGCGTTC
ATCCGCCTGAACCAGCTGGCCATCGAGCACCTGCTCGGCTCCCGCTAA
PF01261
AP_endonuc_2
function
catalytic activity
function
isomerase activity
function
intramolecular oxidoreductase activity
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
function
xylose isomerase activity
process
physiological process
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object