Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04174"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"3'-1-Carboxy-1-Phosphonooxy-Ethoxy-Uridine-Diphosphate-N-Acetylglucosamine"
|
| 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 Ribonucleoside Diphosphates
Mixed Pentose/Hexose Disaccharides
Disaccharide Phosphates
N-acyl-alpha-hexosamines
Organic Pyrophosphates
Pyrimidones
Sugar Acids and Derivatives
Hydropyrimidines
Organic Phosphoric Acids
Oxanes
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Carboxylic Acid Amides
Secondary Alcohols
1,2-Diols
Primary Alcohols
Enolates
Polyamines
Carboxylic Acids
Ethers
mixed pentose/hexose disaccharide
muramic_acid
disaccharide phosphate
n-acyl-alpha-hexosamine
glucosamine
disaccharide
organic pyrophosphate
amino sugar
pyrimidone
pyrimidine
hydropyrimidine
organic phosphate
oxane
phosphoric acid ester
oxolane
tetrahydrofuran
secondary carboxylic acid amide
1,2-diol
carboxamide group
polyol
secondary alcohol
polyamine
enolate
carboxylic acid derivative
ether
carboxylic acid
primary alcohol
alcohol
organonitrogen compound
amine
logP
-0.8
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
1.36e+01 g/l
ALOGPS
logP
-5.1
ChemAxon
IUPAC Name
(2S)-2-{[(2S,3R,4R,5R,6R)-2-({[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-2-(phosphonooxy)propanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-{[(2S,3R,4R,5R,6R)-2-[({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-2-(phosphonooxy)propanoic acid
ChemAxon
Molecular Weight
775.3957
ChemAxon
Monoisotopic Weight
775.063943881
ChemAxon
SMILES
CC(=O)N[C@H]1[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)O[C@H](CO)[C@H](O)[C@@H]1O[C@@](C)(OP(O)(O)=O)C(O)=O
ChemAxon
Molecular Formula
C20H32N3O23P3
ChemAxon
InChI
InChI=1S/C20H32N3O23P3/c1-7(25)21-11-15(43-20(2,18(30)31)45-47(33,34)35)13(28)8(5-24)42-17(11)44-49(38,39)46-48(36,37)40-6-9-12(27)14(29)16(41-9)23-4-3-10(26)22-19(23)32/h3-4,8-9,11-17,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,36,37)(H,38,39)(H,22,26,32)(H2,33,34,35)/t8-,9+,11-,12+,13+,14-,15-,16-,17+,20+/m1/s1
ChemAxon
InChIKey
InChIKey=NLBIPGBVVPCESQ-ZEVJXODCSA-N
ChemAxon
Polar Surface Area (PSA)
393.47
ChemAxon
Refractivity
145.47
ChemAxon
Polarizability
61.95
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
19
ChemAxon
H Bond Donor Count
11
ChemAxon
pKa (strongest acidic)
0.8
ChemAxon
pKa (strongest basic)
-3.8
ChemAxon
Physiological Charge
-5
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936910
PubChem Substance
46509124
PDB
UDA
BE0001291
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Enterobacter cloacae subsp. cloacae (strain ATCC 13047 / DSM 30054 / NBRC 13535 / NCDC 279-56)
# 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-N-acetylglucosamine 1-carboxyvinyltransferase
Cell wall/membrane/envelope biogenesis
Cell wall formation. Adds enolpyruvyl to UDP-N- acetylglucosamine. Target for the antibiotic phosphomycin
murA
Cytoplasm (Probable)
None
5.92
44777.0
Enterobacter cloacae subsp. cloacae (strain ATCC 13047 / DSM 30054 / NBRC 13535 / NCDC 279-56)
GenBank Gene Database
Z11835
GenBank Protein Database
41344
UniProtKB
P33038
UniProt Accession
MURA_ENTCC
EC 2.5.1.7
Enoylpyruvate transferase
EPT
UDP-N-acetylglucosamine enolpyruvyl transferase
>UDP-N-acetylglucosamine 1-carboxyvinyltransferase
MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDIDTTMKLLTQL
GTKVERNGSVWIDASNVNNFSAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGAR
PVDLHIFGLEKLGAEIKLEEGYVKASVNGRLKGAHIVMDKVSVGATVTIMSAATLAEGTT
IIENAAREPEIVDTANFLVALGAKISGQGTDRITIEGVERLGGGVYRVLPDRIETGTFLV
AAAISGGKIVCRNAQPDTLDAVLAKLREAGADIETGEDWISLDMHGKRPKAVTVRTAPHP
AFPTDMQAQFTLLNLVAEGTGVITETIFENRFMHVPELIRMGAHAEIESNTVICHGVEKL
SGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKGE
>1260 bp
ATGGATAAATTTCGTGTACAGGGGCCGACGCGCCTCCAGGGCGAAGTCACAATTTCTGGC
GCGAAAAACGCCGCGCTGCCGATCCTCTTTGCTGCGCTGCTCGCGGAAGAGCCGGTAGAA
ATTCAGAACGTACCGAAGCTGAAAGATATCGACACCACCATGAAGCTGCTCACCCAGTTG
GGGACGAAAGTCGAGCGTAATGGCTCCGTCTGGATCGATGCCAGCAACGTGAACAACTTC
TCAGCACCGTACGACCTGGTGAAAACCATGCGTGCATCCATCTGGGCGCTTGGCCCGCTG
GTAGCGCGTTTTGGTCAGGGACAGGTGTCACTGCCTGGTGGTTGCGCCATTGGCGCGCGT
CCTGTTGACCTGCATATCTTCGGTCTGGAGAAGCTGGGCGCGGAGATCAAACTGGAAGAA
GGTTACGTTAAAGCGTCCGTTAATGGCCGCCTGAAAGGCGCACACATTGTCATGGATAAA
GTGAGCGTTGGCGCAACCGTCACCATTATGTCCGCGGCAACGCTGGCAGAAGGTACCACC
ATTATCGAAAACGCCGCGCGCGAGCCGGAAATTGTGGATACTGCCAACTTCCTCGTGGCG
CTGGGTGCAAAAATCTCTGGCCAGGGTACCGATCGCATCACCATTGAAGGCGTTGAGCGT
CTGGGGGGCGGTGTGTATCGCGTTCTGCCAGACCGTATTGAAACCGGGACTTTCCTGGTG
GCTGCGGCCATTTCTGGCGGCAAGATTGTTTGCCGTAATGCGCAGCCTGACACCCTGGAT
GCGGTGCTGGCGAAGCTGCGTGAAGCGGGTGCGGATATCGAAACCGGTGAAGACTGGATC
AGCCTTGATATGCACGGTAAACGTCCAAAAGCGGTAACCGTTCGCACGGCGCCGCATCCG
GCATTCCCGACCGATATGCAGGCTCAGTTCACGCTGCTGAACCTGGTGGCAGAAGGTACC
GGTGTGATCACCGAGACTATCTTCGAGAACCGCTTCATGCACGTACCGGAGCTGATCCGT
ATGGGCGCACATGCAGAGATCGAAAGTAACACGGTGATTTGCCACGGTGTTGAGAAGCTC
TCCGGTGCGCAGGTTATGGCAACCGATCTGCGTGCGTCTGCGAGCCTGGTATTAGCGGGT
TGTATCGCGGAAGGAACGACGGTTGTGGATCGTATCTACCACATCGATCGTGGTTACGAG
CGTATTGAAGACAAACTGCGCGCGCTGGGTGCCAATATCGAGCGTGTGAAGGGCGAGTAA
PF00275
EPSP_synthase
function
catalytic activity
function
transferase activity
process
amine metabolism
process
amino sugar metabolism
process
UDP-N-acetylgalactosamine metabolism
process
UDP-N-acetylgalactosamine biosynthesis
process
physiological process
process
metabolism
process
nitrogen compound metabolism
"
|
| 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