Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03423"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| 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
Glycoamino Acids and Derivatives
Alpha Amino Acids and Derivatives
Pentoses
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Amino Fatty Acids
Primary Aromatic Amines
N-substituted Imidazoles
Tetrahydrofurans
Oxolanes
1,2-Diols
Secondary Alcohols
Carboxylic Acids
Enolates
Polyamines
Ethers
Selenoethers
Monoalkylamines
alpha-amino acid or derivative
pentose monosaccharide
imidazopyrimidine
purine
aminopyrimidine
monosaccharide
n-substituted imidazole
primary aromatic amine
pyrimidine
oxolane
tetrahydrofuran
azole
imidazole
1,2-diol
secondary alcohol
ether
carboxylic acid
polyamine
selenoether
carboxylic acid derivative
enolate
alcohol
organoselenium compound
amine
primary amine
organonitrogen compound
primary aliphatic amine
logP
-2.5
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
8.42e+00 g/l
ALOGPS
logP
-5.3
ChemAxon
IUPAC Name
(2S)-2-amino-4-({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-amino-4-({[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid
ChemAxon
Molecular Weight
431.31
ChemAxon
Monoisotopic Weight
432.066039608
ChemAxon
SMILES
N[C@@H](CC[Se]C[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N)C(O)=O
ChemAxon
Molecular Formula
C14H20N6O5Se
ChemAxon
InChI
InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7-,9-,10+,13+/m0/s1
ChemAxon
InChIKey
InChIKey=UVSMMLABJBJNGH-SRMDEQNCSA-N
ChemAxon
Polar Surface Area (PSA)
182.63
ChemAxon
Refractivity
98.04
ChemAxon
Polarizability
37.01
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.31
ChemAxon
pKa (strongest basic)
9.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936669
PubChem Substance
46507417
PDB
SAI
BE0001915
tRNA (cmo5U34)-methyltransferase
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
# 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
tRNA (cmo5U34)-methyltransferase
Secondary metabolites biosynthesis, transport and catabolism
cmoA
None
6.87
27372.0
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
GenBank Gene Database
L42023
GenBank Protein Database
1573289
UniProtKB
P43985
UniProt Accession
CMOA_HAEIN
>Hypothetical protein HI0319
MVKDTLFSTPIAKLGDFIFDENVAEVFPDMIQRSVPGYSNIITAIGMLAERFVTADSNVY
DLGCSRGAATLSARRNINQPNVKIIGIDNSQPMVERCRQHIAAYHSEIPVEILCNDIRHV
EIKNASMVILNFTLQFLPPEDRIALLTKIYEGLNPNGVLVLSEKFRFEDTKINHLLIDLH
HQFKRANGYSELEVSQKRTALENVMRTDSIETHKVRLKNVGFSQVELWFQCFNFGSMIAV
K
>726 bp
ATGGTAAAAGATACTCTATTTTCTACCCCCATTGCTAAATTGGGGGATTTCATCTTTGAC
GAAAACGTTGCTGAAGTCTTTCCAGATATGATTCAACGTTCCGTGCCGGGCTATTCTAAC
ATTATTACTGCAATCGGTATGCTGGCTGAACGTTTCGTCACGGCTGATAGTAACGTTTAT
GATCTAGGTTGCTCACGAGGAGCTGCCACACTTTCTGCACGTCGAAATATTAATCAACCC
AACGTAAAAATTATTGGTATCGATAATTCTCAACCGATGGTTGAACGTTGTCGCCAACAT
ATTGCGGCATATCATAGTGAGATACCAGTAGAAATTCTCTGTAATGATATTCGCCACGTT
GAAATTAAAAATGCCTCAATGGTCATTCTCAACTTCACCTTGCAATTTTTACCGCCTGAA
GATCGCATCGCATTGCTTACCAAAATCTATGAAGGTTTAAATCCAAATGGCGTATTAGTA
CTTTCTGAAAAATTCCGTTTTGAAGATACTAAAATTAATCATTTACTCATTGACTTGCAC
CATCAATTCAAACGTGCCAATGGTTATAGCGAATTAGAAGTGAGCCAAAAACGCACCGCA
CTTGAAAATGTGATGCGTACAGATTCTATCGAGACACACAAAGTGCGGTTAAAAAACGTA
GGATTTTCACAAGTAGAACTTTGGTTCCAATGCTTTAATTTTGGCTCGATGATTGCGGTT
AAATAA
PF08242
Methyltransf_12
"
|
| rdfs:label |
"S-Adenosyl-L-Homoselenocysteine"
|
| 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