Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03668"
| Predicate | Value (sorted: none) |
|---|---|
| ns1:description |
"
experimental
This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.
Pyrimidine Ribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Barbituric Acid Derivatives
Ureides
Organophosphate Esters
Organic Phosphoric Acids
Diazinanes
N-substituted Carboxylic Acid Imides
Tetrahydrofurans
Oxolanes
Tertiary Carboxylic Acid Amides
N-unsubstituted Carboxylic Acid Imides
Tertiary Amines
1,2-Diols
Secondary Carboxylic Acid Amides
Secondary Alcohols
Carboxylic Acids
Ethers
Polyamines
barbiturate
pyrimidone
ureide
organic phosphate
pyrimidine
carboxylic acid imide, n-substituted
1,3-diazinane
phosphoric acid ester
tetrahydrofuran
tertiary carboxylic acid amide
oxolane
carboxylic acid imide, n-unsubstituted
carboxamide group
tertiary amine
secondary carboxylic acid amide
1,2-diol
secondary alcohol
polyamine
carboxylic acid derivative
carboxylic acid
ether
organonitrogen compound
amine
alcohol
logP
-1.7
ALOGPS
logS
-1.3
ALOGPS
Water Solubility
1.69e+01 g/l
ALOGPS
logP
-3
ChemAxon
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
340.1807
ChemAxon
Monoisotopic Weight
340.030781158
ChemAxon
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O
ChemAxon
Molecular Formula
C9H13N2O10P
ChemAxon
InChI
InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7+,8+/m0/s1
ChemAxon
InChIKey
InChIKey=AODYJUNLDJOADV-YHSFNTFWSA-N
ChemAxon
Polar Surface Area (PSA)
182.93
ChemAxon
Refractivity
63.44
ChemAxon
Polarizability
27.26
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.22
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936751
PubChem Substance
46504629
PDB
BMQ
BE0001677
Orotidine 5'-phosphate decarboxylase
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
Orotidine 5'-phosphate decarboxylase
Nucleotide transport and metabolism
Catalyzes the decarboxylation of orotidine 5'- monophosphate (OMP) to uridine 5'-monophosphate (UMP)
pyrF
None
6.12
26351.0
Escherichia coli (strain K12)
GenBank Gene Database
J02768
GenBank Protein Database
147475
UniProtKB
P08244
UniProt Accession
PYRF_ECOLI
EC 4.1.1.23
OMP decarboxylase
OMPDCase
OMPdecase
>Orotidine 5'-phosphate decarboxylase
MTLTASSSSRAVTNSPVVVALDYHNRDDALAFVDKIDPRDCRLKVGKEMFTLFGPQFVRE
LQQRGFDIFLDLKFHDIPNTAAHAVAAAADLGVWMVNVHASGGARMMTAAREALVPFGKD
APLLIAVTVLTSMEASDLVDLGMTLSPADYAERLAALTQKCGLDGVVCSAQEAVRFKQVF
GQEFKLVTPGIRPQGSEAGDQRRIMTPEQALSAGVDYMVIGRPVTQSVDPAQTLKAINAS
LQRSA
>738 bp
ATGACGTTAACTGCTTCATCTTCTTCCCGCGCTGTTACGAATTCTCCTGTGGTTGTTGCC
CTTGATTATCATAATCGTGATGACGCGCTGGCCTTTGTCGACAAGATCGACCCACGCGAT
TGTCGTCTGAAGGTCGGCAAAGAGATGTTTACATTGTTTGGGCCACAGTTTGTGCGCGAA
CTTCAACAGCGTGGTTTTGATATCTTTCTTGACCTGAAATTCCACGATATCCCCAACACT
GCAGCGCACGCTGTCGCTGCTGCAGCTGACTTAGGCGTGTGGATGGTGAATGTTCATGCC
TCTGGTGGGGCGCGTATGATGACCGCAGCGCGTGAGGCACTGGTTCCGTTTGGCAAAGAT
GCACCGCTTTTGATTGCTGTGACAGTGTTGACCAGCATGGAAGCCAGCGACCTGGTCGAT
CTTGGCATGACACTGTCACCTGCAGATTATGCAGAACGTCTGGCGGCACTGACGCAAAAA
TGTGGCCTTGATGGTGTGGTGTGTTCTGCTCAGGAAGCTGTGCGCTTTAAACAGGTATTC
GGTCAGGAGTTCAAACTGGTTACGCCGGGCATTCGTCCGCAGGGGAGTGAAGCTGGTGAC
CAGCGCCGCATTATGACGCCAGAACAGGCGTTGTCGGCTGGTGTTGATTATATGGTGATT
GGTCGCCCGGTAACGCAATCGGTAGATCCAGCGCAGACGCTGAAAGCGATCAACGCCTCT
TTACAGCGGAGTGCATGA
PF00215
OMPdecase
function
carbon-carbon lyase activity
function
carboxy-lyase activity
function
catalytic activity
function
orotidine-5'-phosphate decarboxylase activity
function
lyase activity
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleobase metabolism
process
pyrimidine base metabolism
process
pyrimidine base biosynthesis
process
physiological process
process
'de novo' pyrimidine base biosynthesis
process
metabolism
process
cellular metabolism
"
|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"1-(5'-Phospho-Beta-D-Ribofuranosyl)Barbituric Acid"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object