Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04097"
| Predicate | Value (sorted: none) |
|---|---|
| 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 Ribonucleoside Diphosphates
Mixed Pentose/Hexose Disaccharides
Disaccharide Phosphates
Organic Pyrophosphates
Pyrimidones
Organic Phosphoric Acids
Hydropyrimidines
Oxanes
Organophosphate Esters
Oxolanes
Tetrahydrofurans
Secondary Alcohols
Fluorohydrins
1,2-Diols
Polyamines
Ethers
Primary Alcohols
Alkyl Fluorides
Organofluorides
mixed pentose/hexose disaccharide
disaccharide phosphate
disaccharide
organic pyrophosphate
pyrimidone
hydropyrimidine
organic phosphate
oxane
phosphoric acid ester
pyrimidine
oxolane
tetrahydrofuran
secondary alcohol
halohydrin
1,2-diol
fluorohydrin
polyamine
ether
primary alcohol
alcohol
organohalogen
amine
organofluoride
organonitrogen compound
alkyl halide
alkyl fluoride
logP
-0.97
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
2.13e+01 g/l
ALOGPS
logP
-4.1
ChemAxon
IUPAC Name
[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S,5R,6S)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
ChemAxon
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(2R,3S,4S,5R,6S)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphinic acid
ChemAxon
Molecular Weight
568.2928
ChemAxon
Monoisotopic Weight
568.050683927
ChemAxon
SMILES
OC[C@@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@@H](O)[C@H](O)[C@H]1F
ChemAxon
Molecular Formula
C15H23FN2O16P2
ChemAxon
InChI
InChI=1S/C15H23FN2O16P2/c16-8-5(3-19)32-14(12(24)10(8)22)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10+,11+,12-,13+,14+/m0/s1
ChemAxon
InChIKey
InChIKey=OAPPZHVTNHJVAL-LJMZODOWSA-N
ChemAxon
Polar Surface Area (PSA)
271.31
ChemAxon
Refractivity
104.76
ChemAxon
Polarizability
46.04
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
13
ChemAxon
H Bond Donor Count
8
ChemAxon
pKa (strongest acidic)
1.73
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936887
PubChem Substance
46506586
PDB
UFG
BE0001901
UDP-glucose 4-epimerase
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
UDP-glucose 4-epimerase
Cell wall/membrane/envelope biogenesis
UDP-glucose = UDP-galactose
galE
None
6.32
37266.0
Escherichia coli (strain K12)
GenBank Gene Database
X06226
GenBank Protein Database
41523
UniProtKB
P09147
UniProt Accession
GALE_ECOLI
EC 5.1.3.2
Galactowaldenase
UDP-galactose 4-epimerase
>UDP-glucose 4-epimerase
MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIR
NEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFI
FSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNP
VGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLA
DGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYW
ADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD
>1017 bp
ATGAGAGTTCTGGTTACCGGTGGTAGCGGTTACATTGGAAGTCATACCTGTGTGCAATTA
CTGCAAAACGGTCATGATGTCATCATTCTTGATAACCTCTGTAACAGTAAGCGCAGCGTA
CTGCCTGTTATCGAGCGTTTAGGCGGCAAACATCCAACGTTTGTTGAAGGCGATATTCGT
AACGAAGCGTTGATGACCGAGATCCTGCACGATCACGCTATCGACACCGTGATCCACTTC
GCCGGGCTGAAAGCCGTGGGCGAATCGGTACAAAAACCGCTGGAATATTACGACAACAAT
GTCAACGGCACTCTGCGCCTGATTAGCGCCATGCGCGCCGCTAACGTCAAAAACTTTATT
TTTAGCTCCTCCGCCACCGTTTATGGCGATCAGCCCAAAATTCCATACGTTGAAAGCTTC
CCGACCGGCACACCGCAAAGCCCTTACGGCAAAAGCAAGCTGATGGTGGAACAGATCCTC
ACCGATCTGCAAAAAGCCCAGCCGGACTGGAGCATTGCCCTGCTGCGCTACTTCAACCCG
GTTGGCGCGCATCCGTCGGGCGATATGGGCGAAGATCCGCAAGGCATTCCGAATAACCTG
ATGCCATACATCGCCCAGGTTGCTGTAGGCCGTCGCGACTCGCTGGCGATTTTTGGTAAC
GATTATCCGACCGAAGATGGTACTGGCGTACGCGATTACATCCACGTAATGGATCTGGCG
GACGGTCACGTCGTGGCGATGGAAAAACTGGCGAACAAGCCAGGCGTACACATCTACAAC
CTCGGCGCTGGCGTAGGCAACAGCGTGCTGGACGTGGTTAATGCCTTCAGCAAAGCCTGC
GGCAAACCGGTTAATTATCATTTTGCACCGCGTCGCGAGGGCGACCTTCCGGCCTACTGG
GCGGACGCCAGCAAAGCCGACCGTGAACTGAACTGGCGCGTAACGCGCACACTCGATGAA
ATGGCGCAGGACACCTGGCACTGGCAGTCACGCCATCCACAGGGATATCCCGATTAA
PF01370
Epimerase
function
catalytic activity
function
racemase and epimerase activity
function
racemase and epimerase activity, acting on carbohydrates and derivatives
function
cofactor binding
function
coenzyme binding
function
UDP-glucose 4-epimerase activity
function
isomerase activity
function
binding
function
NAD binding
process
nucleotide-sugar metabolism
process
metabolism
process
cellular metabolism
process
galactose metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
alcohol metabolism
process
monosaccharide metabolism
process
hexose metabolism
process
physiological process
"
|
| rdfs:label |
"Uridine-5'-Diphosphate-4-Deoxy-4-Fluoro-Alpha-D-Galactose"
|
| owl:sameAs | |
| 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