Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04034"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
Pentose Phosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Monosaccharide Phosphates
Acyloins
Organic Phosphoric Acids
Organophosphate Esters
Secondary Alcohols
1,2-Diols
Ketones
Enolates
Polyamines
Primary Alcohols
Aldehydes
monosaccharide phosphate
acyloin
organic phosphate
phosphoric acid ester
1,2-diol
ketone
secondary alcohol
polyol
enolate
primary alcohol
polyamine
carbonyl group
aldehyde
alcohol
logP
-1.8
ALOGPS
logS
-0.95
ALOGPS
Water Solubility
2.61e+01 g/l
ALOGPS
logP
-2.8
ChemAxon
IUPAC Name
{[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl]oxyphosphonic acid
ChemAxon
Molecular Weight
230.1098
ChemAxon
Monoisotopic Weight
230.01915384
ChemAxon
SMILES
OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
ChemAxon
Molecular Formula
C5H11O8P
ChemAxon
InChI
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
ChemAxon
InChIKey
InChIKey=FNZLKVNUWIIPSJ-RFZPGFLSSA-N
ChemAxon
Polar Surface Area (PSA)
144.52
ChemAxon
Refractivity
42.47
ChemAxon
Polarizability
18.05
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.48
ChemAxon
pKa (strongest basic)
-3.3
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
17363
PubChem Compound
439190
PubChem Substance
46509199
PDB
5RP
BE0001250
3-keto-L-gulonate-6-phosphate decarboxylase UlaD
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
3-keto-L-gulonate-6-phosphate decarboxylase UlaD
Carbohydrate transport and metabolism
Catalyzes the decarboxylation of 3-keto-L-gulonate-6-P into L-xylulose-5-P. Is involved in the anaerobic L-ascorbate utilization
ulaD
None
4.79
23578.0
Escherichia coli (strain K12)
GenBank Gene Database
U14003
GenBank Protein Database
537037
UniProtKB
P39304
UniProt Accession
ULAD_ECOLI
3- dehydro-L-gulonate-6-phosphate decarboxylase
EC 4.1.1.85
KGPDC
L-ascorbate utilization protein D
>3-keto-L-gulonate-6-phosphate decarboxylase ulaD
MSLPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVL
ADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGDVQIELTGYWTWE
QAQQWRDAGIGQVVYHRSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLF
KGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELWG
>651 bp
ATGTCATTACCGATGTTGCAAGTCGCGCTGGACAACCAGACTATGGATAGCGCCTACGAA
ACCACTCGCCTGATTGCCGAAGAAGTCGACATTATCGAAGTGGGCACCATTCTGTGCGTG
GGCGAAGGCGTGCGTGCGGTTCGTGACCTGAAAGCGCTCTACCCGCACAAAATCGTACTG
GCAGACGCCAAAATTGCCGATGCAGGCAAAATCCTTTCGCGTATGTGCTTCGAAGCCAAC
GCTGACTGGGTGACGGTAATTTGCTGTGCGGATATCAACACCGCCAAAGGCGCGCTGGAC
GTGGCAAAAGAGTTTAACGGCGACGTGCAGATCGAACTGACCGGTTACTGGACCTGGGAA
CAGGCGCAACAGTGGCGCGATGCAGGCATTGGGCAGGTGGTTTATCACCGCAGCCGTGAC
GCGCAGGCCGCAGGCGTGGCGTGGGGCGAAGCGGACATCACCGCGATCAAACGTCTTTCC
GATATGGGCTTCAAAGTCACCGTCACCGGAGGCCTGGCGCTGGAAGATCTGCCGCTGTTC
AAGGGTATTCCGATTCACGTCTTTATCGCGGGCCGTAGTATCCGTGATGCCGCTTCTCCG
GTGGAAGCCGCACGTCAGTTCAAACGTTCCATCGCTGAACTGTGGGGCTAA
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
"
|
| rdfs:label |
"Ribulose-5-Phosphate"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object