Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03528"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"9-Beta-D-Xylofuranosyl-Adenine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Purine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Primary Aromatic Amines
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Ethers
Primary Alcohols
Polyamines
pentose monosaccharide
imidazopyrimidine
purine
aminopyrimidine
primary aromatic amine
pyrimidine
monosaccharide
n-substituted imidazole
tetrahydrofuran
imidazole
azole
oxolane
secondary alcohol
1,2-diol
polyamine
primary alcohol
ether
organonitrogen compound
primary amine
alcohol
amine
logP
-1.2
ALOGPS
logS
-1.3
ALOGPS
Water Solubility
1.40e+01 g/l
ALOGPS
logP
-2.1
ChemAxon
IUPAC Name
(2R,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
ChemAxon
Traditional IUPAC Name
(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
ChemAxon
Molecular Weight
267.2413
ChemAxon
Monoisotopic Weight
267.096753929
ChemAxon
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C10H13N5O4
ChemAxon
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10+/m0/s1
ChemAxon
InChIKey
InChIKey=OIRDTQYFTABQOQ-FCIPNVEPSA-N
ChemAxon
Polar Surface Area (PSA)
139.54
ChemAxon
Refractivity
63.2
ChemAxon
Polarizability
24.99
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
12.45
ChemAxon
pKa (strongest basic)
4.99
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
453548
PubChem Substance
46508697
PDB
XYA
BE0002011
Purine nucleoside phosphorylase DeoD-type
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
Purine nucleoside phosphorylase DeoD-type
Nucleotide transport and metabolism
Cleavage of guanosine or inosine to respective bases and sugar-1-phosphate molecules
deoD
None
5.35
25950.0
Escherichia coli (strain K12)
GenBank Gene Database
M60917
GenBank Protein Database
147309
UniProtKB
P0ABP8
UniProt Accession
DEOD_ECOLI
EC 2.4.2.1
Inosine phosphorylase
PNP
>Purine nucleoside phosphorylase deoD-type
MATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISV
MGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIR
FKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVE
MEAAGIYGVAAEFGAKALTICTVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDKE
>720 bp
ATGGCTACCCCACACATTAATGCAGAAATGGGCGATTTCGCTGACGTAGTTTTGATGCCA
GGCGACCCGCTGCGTGCGAAGTATATTGCTGAAACTTTCCTTGAAGATGCCCGTGAAGTG
AACAACGTTCGCGGTATGCTGGGCTTCACCGGTACTTACAAAGGCCGCAAAATTTCCGTA
ATGGGTCACGGTATGGGTATCCCGTCCTGCTCCATCTACACCAAAGAACTGATCACCGAT
TTCGGCGTGAAGAAAATTATCCGCGTGGGTTCCTGTGGCGCAGTTCTGCCGCACGTAAAA
CTGCGCGACGTCGTTATCGGTATGGGTGCCTGCACCGATTCCAAAGTTAACCGCATCCGT
TTTAAAGACCATGACTTTGCCGCTATCGCTGACTTCGACATGGTGCGTAACGCAGTAGAT
GCAGCTAAAGCACTGGGTATTGATGCTCGCGTGGGTAACCTGTTCTCCGCTGACCTGTTC
TACTCTCCGGACGGCGAAATGTTCGACGTGATGGAAAAATACGGCATTCTCGGCGTGGAA
ATGGAAGCGGCTGGTATCTACGGCGTCGCTGCAGAATTTGGCGCGAAAGCCCTGACCATC
TGCACCGTATCTGACCACATCCGCACTCACGAGCAGACCACTGCCGCTGAGCGTCAGACT
ACCTTCAACGACATGATCAAAATCGCACTGGAATCCGTTCTGCTGGGCGATAAAGAGTAA
PF01048
PNP_UDP_1
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
purine-nucleoside phosphorylase activity
function
catalytic activity
function
transferase activity
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleoside metabolism
process
physiological process
process
metabolism
process
cellular metabolism
"
|
| 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