Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07711"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
Purines and Purine Derivatives
Organic Compounds
Heterocyclic Compounds
Imidazopyrimidines
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Primary Aromatic Amines
N-substituted Imidazoles
Secondary Alcohols
Polyamines
aminopyrimidine
pyrimidine
primary aromatic amine
n-substituted imidazole
azole
imidazole
secondary alcohol
polyamine
alcohol
primary amine
amine
organonitrogen compound
logP
2.1
ALOGPS
logS
-2.8
ALOGPS
Water Solubility
4.40e-01 g/l
ALOGPS
logP
2.14
ChemAxon
IUPAC Name
(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
ChemAxon
Traditional IUPAC Name
(2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol
ChemAxon
Molecular Weight
277.3653
ChemAxon
Monoisotopic Weight
277.190260383
ChemAxon
SMILES
[H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12
ChemAxon
Molecular Formula
C14H23N5O
ChemAxon
InChI
InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
ChemAxon
InChIKey
InChIKey=IOSAAWHGJUZBOG-WDEREUQCSA-N
ChemAxon
Polar Surface Area (PSA)
89.85
ChemAxon
Refractivity
79.55
ChemAxon
Polarizability
31.05
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
14.81
ChemAxon
pKa (strongest basic)
5.11
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
149790
PubChem Substance
99444182
ChemSpider
132030
PDB
EH9
BE0002214
Adenosine deaminase
Human
# 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
Adenosine deaminase
Replication, recombination and repair
Adenosine + H(2)O = inosine + NH(3)
ADA
20q12-q13.11
Cytoplasmic
None
5.8
40765.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:186
GenAtlas
ADA
GeneCards
ADA
GenBank Gene Database
X02994
GenBank Protein Database
28380
UniProtKB
P00813
UniProt Accession
ADA_HUMAN
Adenosine aminohydrolase
EC 3.5.4.4
>Adenosine deaminase
MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPD
FLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQA
EGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAI
DLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGY
HTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIF
KSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAG
QNL
>1092 bp
ATGGCCCAGACGCCCGCCTTCGACAAGCCCAAAGTAGAACTGCATGTCCACCTAGACGGA
TCCATCAAGCCTGAAACCATCTTATACTATGGCAGGAGGAGAGGGATCGCCCTCCCAGCT
AACACAGCAGAGGGGCTGCTGAACGTCATTGGCATGGACAAGCCGCTCACCCTTCCAGAC
TTCCTGGCCAAGTTTGACTACTACATGCCTGCTATCGCGGGCTGCCGGGAGGCTATCAAA
AGGATCGCCTATGAGTTTGTAGAGATGAAGGCCAAAGAGGGCGTGGTGTATGTGGAGGTG
CGGTACAGTCCGCACCTGCTGGCCAACTCCAAAGTGGAGCCAATCCCCTGGAACCAGGCT
GAAGGGGACCTCACCCCAGACGAGGTGGTGGCCCTAGTGGGCCAGGGCCTGCAGGAGGGG
GAGCGAGACTTCGGGGTCAAGGCCCGGTCCATCCTGTGCTGCATGCGCCACCAGCCCAAC
TGGTCCCCCAAGGTGGTGGAGCTGTGTAAGAAGTACCAGCAGCAGACCGTGGTGGCCATT
GACCTGGCTGGAGATGAGACCATCCCAGGAAGCAGCCTCTTGCCTGGACATGTCCAGGCC
TACCAGGAGGCTGTGAAGAGCGGCATTCACCGTACTGTCCACGCCGGGGAGGTGGGCTCG
GCCGAAGTAGTAAAAGAGGCTGTGGACATACTCAAGACAGAGCGGCTGGGACACGGCTAC
CACACCCTGGAAGACCAGGCCCTTTATAACAGGCTGCGGCAGGAAAACATGCACTTCGAG
ATCTGCCCCTGGTCCAGCTACCTCACTGGTGCCTGGAAGCCGGACACGGAGCATGCAGTC
ATTCGGCTCAAAAATGACCAGGCTAACTACTCGCTCAACACAGATGACCCGCTCATCTTC
AAGTCCACCCTGGACACTGATTACCAGATGACCAAACGGGACATGGGCTTTACTGAAGAG
GAGTTTAAAAGGCTGAACATCAATGCGGCCAAATCTAGTTTCCTCCCAGAAGATGAAAAG
AGGGAGCTTCTCGACCTGCTCTATAAAGCCTATGGGATGCCACCTTCAGCCTCTGCAGGG
CAGAACCTCTGA
PF00962
A_deaminase
function
catalytic activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
function
deaminase activity
function
adenosine deaminase activity
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
purine nucleoside monophosphate biosynthesis
process
purine ribonucleoside monophosphate biosynthesis
process
purine nucleotide metabolism
process
physiological process
process
purine nucleotide biosynthesis
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object