Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03723"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2'-Deoxy-Thymidine-Beta-L-Rhamnose"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Pyrimidine Nucleotide Sugars
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidine 2'-deoxyribonucleoside Diphosphates
Hexoses
Organic Pyrophosphates
Pyrimidones
Oxanes
Organic Phosphoric Acids
Hydropyrimidines
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Ethers
Polyamines
pyrimidine deoxyribonucleotide
hexose monosaccharide
organic pyrophosphate
pyrimidone
phosphoric acid ester
organic phosphate
hydropyrimidine
pyrimidine
monosaccharide
oxane
oxolane
tetrahydrofuran
secondary alcohol
1,2-diol
polyol
polyamine
ether
amine
organonitrogen compound
alcohol
logP
-1.1
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
1.16e+01 g/l
ALOGPS
logP
-2.7
ChemAxon
IUPAC Name
{[hydroxy({[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}({[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphinic acid
ChemAxon
Traditional IUPAC Name
{hydroxy[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphinic acid
ChemAxon
Molecular Weight
548.3296
ChemAxon
Monoisotopic Weight
548.080841196
ChemAxon
SMILES
C[C@@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@@H](O)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C16H26N2O15P2
ChemAxon
InChI
InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10-,11-,12+,13-,15+/m0/s1
ChemAxon
InChIKey
InChIKey=ZOSQFDVXNQFKBY-UTCAIGHUSA-N
ChemAxon
Polar Surface Area (PSA)
251.08
ChemAxon
Refractivity
107.76
ChemAxon
Polarizability
47.28
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
12
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
1.73
ChemAxon
pKa (strongest basic)
-3.2
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936769
PubChem Substance
46505764
PDB
TRH
BE0002493
Glucose-1-phosphate thymidylyltransferase
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
unknown
Glucose-1-phosphate thymidylyltransferase
Involved in glucose-1-phosphate thymidylyltransferase activity
rmlA
None
5.02
32457.0
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
GenBank Gene Database
AE004091
UniProtKB
Q9HU22
UniProt Accession
Q9HU22_PSEAE
Glucose-1-phosphate thymidyltransferase
>Glucose-1-phosphate thymidylyltransferase
MKRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDT
PRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHE
LLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQ
QVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIA
TLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTETVY
>882 bp
ATGAAACGCAAGGGCATCATCCTCGCCGGAGGCTCGGGCACCCGCCTGCACCCGGCAACG
CTGGCCATCTCCAAGCAGTTGCTGCCGGTGTACGACAAGCCGATGATCTACTACCCGCTC
AGTACCCTGATGCTGGCGGGCATCCGCGAGATACTGATCATCTCGACCCCACAGGACACC
CCACGCTTCCAGCAGTTGCTGGGCGACGGTTCGAACTGGGGCCTGGACCTGCAATATGCC
GTGCAACCGTCGCCGGACGGCCTGGCCCAGGCCTTCCTGATCGGCGAGTCGTTCATCGGC
AACGACCTCAGCGCGCTGGTCCTGGGCGACAACCTCTATTACGGCCACGACTTCCACGAG
TTGCTCGGCAGCGCTTCGCAGCGCCAGACCGGCGCCAGTGTCTTCGCCTACCACGTGCTG
GACCCGGAGCGCTACGGCGTGGTCGAGTTCGACCAGGGCGGCAAGGCCATCAGCCTGGAA
GAGAAGCCACTGGAGCCGAAGTCGAACTACGCGGTCACCGGCCTGTATTTCTACGACCAG
CAGGTGGTGGACATCGCCAGGGACCTGAAGCCTTCGCCGCGCGGCGAGCTGGAGATCACC
GACGTCAACCGCGCCTATCTGGAGCGCGGCCAGCTCAGCGTGGAGATCATGGGCCGCGGC
TACGCCTGGCTGGATACCGGCACCCACGATTCGCTGCTCGAGGCCGGCCAGTTCATCGCC
ACCCTGGAGAACCGCCAGGGTCTCAAGGTGGCCTGCCCGGAAGAGATCGCCTACCGGCAG
AAGTGGATCGACGCCGCGCAACTGGAAAAACTCGCCGCGCCGCTGGCCAAGAACGGCTAC
GGCCAATACCTCAAGCGCCTGCTGACCGAGACCGTGTACTGA
PF00483
NTP_transferase
function
transferase activity
function
transferase activity, transferring phosphorus-containing groups
function
nucleotidyltransferase activity
function
glucose-1-phosphate thymidylyltransferase activity
function
catalytic activity
process
macromolecule biosynthesis
process
carbohydrate biosynthesis
process
polysaccharide biosynthesis
process
physiological process
process
extracellular polysaccharide biosynthesis
process
metabolism
process
macromolecule metabolism
process
biosynthesis
BE0001971
dTDP-4-dehydrorhamnose reductase
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
# 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
dTDP-4-dehydrorhamnose reductase
Cell wall/membrane/envelope biogenesis
dTDP-6-deoxy-L-mannose + NADP(+) = dTDP-4- dehydro-6-deoxy-L-mannose + NADPH
rfbD
None
6.88
32554.0
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
GenBank Gene Database
X56793
UniProtKB
P26392
UniProt Accession
RMLD_SALTY
dTDP-4-keto-L- rhamnose reductase
dTDP-6-deoxy-L-mannose dehydrogenase
dTDP-L- rhamnose synthetase
EC 1.1.1.133
>dTDP-4-dehydrorhamnose reductase
MNILLFGKTGQVGWELQRSLAPVGNLIALDVHSKEFCGDFSNPKGVAETVRKLRPDVIVN
AAAHTAVDKAESEPELAQLLNATSVEAIAKAANETGAWVVHYSTDYVFPGTGDIPWQETD
ATSPLNVYGKTKLAGEKALQDNCPKHLIFRTSWVYAGKGNNFAKTMLRLAKERQTLSVIN
DQYGAPTGAELLADCTAHAIRVALNKPEVAGLYHLVAGGTTTWHDYAALVFDEARKAGIT
LALTELNAVPTSAYPTPASRPGNSRLNTEKFQRNFDLILPQWELGVKRMLTEMFTTTTI
>900 bp
ATGAATATCTTACTTTTTGGTAAGACAGGGCAAGTAGGCTGGGAGTTGCAACGTTCTCTG
GCACCGGTAGGGAATCTGATTGCCCTGGATGTCCATTCAAAAGAGTTTTGCGGTGATTTT
AGTAATCCGAAAGGCGTTGCCGAAACCGTTCGTAAGCTTCGTCCCGATGTGATTGTTAAC
GCAGCAGCCCATACTGCAGTAGATAAAGCAGAGTCTGAACCAGAACTGGCGCAGTTACTT
AACGCCACCAGTGTGGAAGCCATCGCTAAAGCAGCCAACGAAACTGGCGCATGGGTAGTG
CATTATTCAACCGATTATGTATTTCCTGGTACCGGCGATATCCCATGGCAGGAAACGGAC
GCTACGTCGCCGCTGAATGTCTATGGCAAAACCAAACTGGCGGGAGAAAAGGCCCTGCAG
GATAACTGCCCTAAACACCTTATCTTCCGCACCAGTTGGGTTTATGCAGGTAAGGGCAAT
AATTTCGCAAAGACAATGCTTCGTCTGGCGAAAGAGCGTCAGACACTTTCAGTCATTAAC
GATCAGTACGGTGCGCCAACCGGTGCGGAATTACTGGCTGACTGTACGGCGCATGCGATC
CGTGTGGCGTTAAATAAACCAGAAGTCGCAGGTCTTTACCATCTGGTTGCCGGGGGAACC
ACAACCTGGCATGACTACGCGGCCTTAGTCTTTGACGAGGCGCGCAAAGCAGGGATAACG
CTTGCGCTGACTGAGCTTAATGCTGTGCCGACCAGCGCCTACCCGACGCCGGCGAGCAGA
CCAGGCAATTCGCGTCTCAATACTGAAAAGTTTCAGCGTAATTTTGACCTTATTCTGCCT
CAATGGGAATTAGGAGTTAAGCGTATGCTGACTGAAATGTTTACGACGACAACCATCTAA
PF04321
RmlD_sub_bind
function
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
function
dTDP-4-dehydrorhamnose reductase activity
function
catalytic activity
function
oxidoreductase activity
function
oxidoreductase activity, acting on CH-OH group of donors
process
macromolecule biosynthesis
process
carbohydrate biosynthesis
process
polysaccharide biosynthesis
process
extracellular polysaccharide biosynthesis
process
physiological process
process
metabolism
process
macromolecule 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