Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02790"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.
Pyrimidine Ribonucleoside Diphosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentose Phosphates
Monosaccharide Phosphates
Organic Pyrophosphates
Pyrimidones
Hydropyrimidines
Benzene and Substituted Derivatives
Organic Phosphoric Acids
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Polyamines
Ethers
pentose phosphate
pentose-5-phosphate
pentose monosaccharide
organic pyrophosphate
monosaccharide phosphate
pyrimidone
hydropyrimidine
benzene
organic phosphate
monosaccharide
pyrimidine
phosphoric acid ester
oxolane
tetrahydrofuran
secondary alcohol
1,2-diol
polyamine
ether
amine
organonitrogen compound
alcohol
logP
0.1
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
5.51e+00 g/l
ALOGPS
logP
-0.92
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(phenoxy)phosphoryl]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(phenoxy)phosphoryl]oxyphosphinic acid
ChemAxon
Molecular Weight
480.2571
ChemAxon
Monoisotopic Weight
480.033497074
ChemAxon
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CO[P@](O)(=O)O[P@@](O)(=O)OC1=CC=CC=C1)N1C=CC(=O)NC1=O
ChemAxon
Molecular Formula
C15H18N2O12P2
ChemAxon
InChI
InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13+,14+/m0/s1
ChemAxon
InChIKey
InChIKey=ZHUWBKDWWGKIEN-SCUASFONSA-N
ChemAxon
Polar Surface Area (PSA)
201.39
ChemAxon
Refractivity
98.57
ChemAxon
Polarizability
38.73
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.63
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936490
PubChem Substance
46505810
PDB
UPP
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
NAD binding
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
process
physiological process
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
"
|
| rdfs:label |
"Phenyl-Uridine-5'-Diphosphate"
|
| 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