Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04087"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Open Form of 2'-Deoxy-Ribofuranose-5'-Phosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.
Organophosphate Esters
Organic Compounds
Organophosphorus Compounds
Organic Phosphoric Acids and Derivatives
Organophosphate Esters
Organic Phosphoric Acids
Secondary Alcohols
1,2-Diols
Primary Alcohols
Polyamines
1,2-diol
secondary alcohol
polyol
polyamine
primary alcohol
alcohol
logP
-1.9
ALOGPS
logS
-0.82
ALOGPS
Water Solubility
3.30e+01 g/l
ALOGPS
logP
-2.5
ChemAxon
IUPAC Name
{[(2R,3R)-2,3,5-trihydroxypentyl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3R)-2,3,5-trihydroxypentyl]oxyphosphonic acid
ChemAxon
Molecular Weight
216.1263
ChemAxon
Monoisotopic Weight
216.039889282
ChemAxon
SMILES
OCC[C@@H](O)[C@H](O)COP(O)(O)=O
ChemAxon
Molecular Formula
C5H13O7P
ChemAxon
InChI
InChI=1S/C5H13O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5-/m1/s1
ChemAxon
InChIKey
InChIKey=YCHBTVQJICBXEI-RFZPGFLSSA-N
ChemAxon
Polar Surface Area (PSA)
127.45
ChemAxon
Refractivity
42.22
ChemAxon
Polarizability
18.35
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.5
ChemAxon
pKa (strongest basic)
-2.4
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936884
PubChem Substance
46508398
PDB
HPD
BE0004607
Deoxyribose-phosphate aldolase
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
# 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
Deoxyribose-phosphate aldolase
deoC
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
UniProtKB
Q5SJ28
UniProt Accession
DEOC_THET8
BE0001797
Deoxyribose-phosphate aldolase
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
Deoxyribose-phosphate aldolase
Nucleotide transport and metabolism
2-deoxy-D-ribose 5-phosphate = D- glyceraldehyde 3-phosphate + acetaldehyde
deoC
Cytoplasm
None
5.43
27734.0
Escherichia coli (strain K12)
GenBank Gene Database
X03224
GenBank Protein Database
41252
UniProtKB
P0A6L0
UniProt Accession
DEOC_ECOLI
Deoxyriboaldolase
DERA
EC 4.1.2.4
Phosphodeoxyriboaldolase
>Deoxyribose-phosphate aldolase
MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTL
KEQGTPEIRIATVTNFPHGNDDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFD
LVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIKAGADFIKTSTGKVAVNATPE
SARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL
LASLLKALGHGDGKSASSY
>780 bp
ATGACTGATCTGAAAGCAAGCAGCCTGCGTGCACTGAAATTGATGGACCTGAACACCCTG
AATGACGACGACACCGACGAGAAAGTGATCGCCCTGTGTCATCAGGCCAAAACTCCGGTC
GGCAATACCGCCGCTATCTGTATCTATCCTCGCTTTATCCCGATTGCTCGCAAAACTCTG
AAAGAGCAGGGCACCCCGGAAATCCGTATCGCTACGGTAACCAACTTCCCACACGGTAAC
GACGACATCGACATCGCGCTGGCAGAAACCCGTGCGGCAATCGCCTACGGTGCTGATGAA
GTTGACGTTGTGTTCCCGTACCGCGCGCTGATGGCGGGTAACGAGCAGGTTGGTTTTGAC
CTGGTGAAAGCCTGTAAAGAGGCTTGCGCGGCAGCGAATGTACTGCTGAAAGTGATCATC
GAAACCGGCGAACTGAAAGACGAAGCGCTGATCCGTAAAGCGTCTGAAATCTCCATCAAA
GCGGGTGCGGACTTCATCAAAACCTCTACCGGTAAAGTGGCTGTGAACGCGACGCCGGAA
AGCGCGCGCATCATGATGGAAGTGATCCGTGATATGGGCGTAGAAAAAACCGTTGGTTTC
AAACCGGCGGGCGGCGTGCGTACTGCGGAAGATGCGCAGAAATATCTCGCCATTGCAGAT
GAACTGTTCGGTGCTGACTGGGCAGATGCGCGTCACTACCGCTTTGGCGCTTCCAGCCTG
CTGGCAAGCCTGCTGAAAGCGCTGGGTCACGGCGACGGTAAGAGCGCCAGCAGCTACTAA
PF01791
DeoC
component
cell
component
intracellular
component
cytoplasm
function
deoxyribose-phosphate aldolase activity
function
lyase activity
function
carbon-carbon lyase activity
function
catalytic activity
function
aldehyde-lyase activity
process
metabolism
process
cellular metabolism
process
deoxyribonucleotide catabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
physiological process
process
nucleotide catabolism
"
|
| 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