Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03855"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"L-Threonohydroxamate 4-Phosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.
Organophosphate Esters
Organic Compounds
Organophosphorus Compounds
Organic Phosphoric Acids and Derivatives
Organophosphate Esters
Organic Phosphoric Acids
Secondary Alcohols
1,2-Diols
Polyamines
polyol
secondary alcohol
1,2-diol
polyamine
amine
alcohol
organonitrogen compound
logP
-2.3
ALOGPS
logS
-1.2
ALOGPS
Water Solubility
1.56e+01 g/l
ALOGPS
logP
-4.1
ChemAxon
IUPAC Name
[(2R,3S,4R)-2,3,4-trihydroxy-4-(hydroxyamino)butoxy]phosphonic acid
ChemAxon
Traditional IUPAC Name
(2R,3S,4R)-2,3,4-trihydroxy-4-(hydroxyamino)butoxyphosphonic acid
ChemAxon
Molecular Weight
233.1137
ChemAxon
Monoisotopic Weight
233.030052877
ChemAxon
SMILES
ON[C@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O
ChemAxon
Molecular Formula
C4H12NO8P
ChemAxon
InChI
InChI=1S/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/t2-,3+,4-/m1/s1
ChemAxon
InChIKey
InChIKey=CSVKNYIFCYRDJM-FLRLBIABSA-N
ChemAxon
Polar Surface Area (PSA)
159.71
ChemAxon
Refractivity
52.3
ChemAxon
Polarizability
18.45
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
3.4
ChemAxon
pKa (strongest basic)
1.47
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936807
PubChem Substance
46505125
PDB
TX4
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
"
|
| 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