Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03734"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Xylarohydroxamate"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the tetroses. These are tetrasaccharides whose saccharide units are all hexoses.
Tetroses
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Beta Hydroxy Acids and Derivatives
Secondary Alcohols
Hydroxamic Acids
1,2-Diols
Carboxylic Acid Salts
Enolates
Polyamines
Aldehydes
beta-hydroxy acid
hydroxy acid
carboxamide group
secondary alcohol
hydroxamic acid
1,2-diol
polyol
carboxylic acid derivative
carboxylic acid salt
enolate
polyamine
alcohol
amine
organonitrogen compound
aldehyde
logP
-2.3
ALOGPS
logS
-0.23
ALOGPS
Water Solubility
1.25e+02 g/l
ALOGPS
logP
-3.3
ChemAxon
IUPAC Name
(2R,3R,4R)-2,3,4-trihydroxy-4-(hydroxycarbamoyl)butanoate
ChemAxon
Traditional IUPAC Name
xylarohydroxamate
ChemAxon
Molecular Weight
194.1195
ChemAxon
Monoisotopic Weight
194.030076615
ChemAxon
SMILES
ONC(=O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O
ChemAxon
Molecular Formula
C5H8NO7
ChemAxon
InChI
InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/p-1/t1-,2-,3-/m1/s1
ChemAxon
InChIKey
InChIKey=DMGBHBFPSRKPBV-ADNNCPOWSA-M
ChemAxon
Polar Surface Area (PSA)
150.15
ChemAxon
Refractivity
46.6
ChemAxon
Polarizability
15.38
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
3.17
ChemAxon
pKa (strongest basic)
-3.8
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936773
PubChem Substance
46508938
PDB
XYH
BE0002036
Glucarate dehydratase
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
Glucarate dehydratase
Cell wall/membrane/envelope biogenesis
Catalyzes the dehydration of glucarate to 5-keto-4- deoxy-D-glucarate (5-kdGluc). Also acts on L-idarate
gudD
None
5.99
49142.0
Escherichia coli (strain K12)
GenBank Gene Database
U00096
GenBank Protein Database
1786182
UniProtKB
P0AES2
UniProt Accession
GUDD_ECOLI
EC 4.2.1.40
GDH
GlucD
>Glucarate dehydratase
MSSQFTTPVVTEMQVIPVAGHDSMLMNLSGAHAPFFTRNIVIIKDNSGHTGVGEIPGGEK
IRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAM
LDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHE
EAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAW
SLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGH
TLSLQSVDIPLADPHFWTMQGSVRVAQMCHEFGLTWGSHSNNHFDISLAMFTHVAAAAPG
KITAIDTHWIWQEGNQRLTKEPFEIKGGLVQVPEKPGLGVEIDMDQVMKAHELYQKHGLG
ARDDAMGMQYLIPGWTFDNKRPCMVR
>1341 bp
TTAACGCACCATGCACGGGCGCTTGTTATCGAACGTCCAGCCAGGAATCAGATACTGCAT
TCCCATCGCATCGTCACGCGCGCCAAGCCCGTGTTTCTGATACAGCTCATGGGCTTTCAT
CACTTGATCCATATCGATTTCTACACCCAGCCCCGGTTTTTCTGGCACCTGTACCAGCCC
GCCTTTGATCTCAAACGGTTCTTTGGTCAGGCGCTGATTGCCTTCCTGCCAAATCCAGTG
CGTATCAATAGCAGTAATTTTACCCGGTGCAGCGGCGGCAACATGGGTAAACATCGCCAG
GGAAATATCGAAGTGGTTGTTAGAGTGTGAACCCCAGGTCAGGCCAAATTCATGGCACAT
TTGCGCCACACGTACCGAACCTTGCATTGTCCAGAAATGCGGATCCGCCAGCGGGATATC
AACGGATTGCAGGGAGAGCGTATGGCCCATTTGCCGCCAGTCGGTGGCGATCATATTGGT
TGCAGTCGGTAGACCTGTCGCGCGACGGAACTCTGCCATCACTTCACGCCCGGAGAAACC
TTGCTCCGCACCACACGGATCTTCTGCATAAGCCAGCGAACCTTTCAGGTATTTACCGAT
TTTAATCGCTTCGTTCAGCGACCAGGCACCGTTAGGATCGAGCGTAATACGCGCCTGCGG
GAAGCGTTGCGCCAGTGCCACAATAGACTCGGCCTCTTCTTCCCCGGCCAGTACACCGCC
CTTCAGTTTGAAATCGTTGAAGCCATATTTTTCATATGCCGCTTCCGCCAGGCGCACCAC
CGCATCCGGCGTCATCGCTTCTTCATGACGCAGGCGATACCAGTCGCATGAGTCATCCGG
CTGGCTTTGATACGGCAGCGGCGTGGCTTTGCGATTACCGACGAAGAACAGATAACCGAG
CATTTCGACTTCGCTACGCTGTTGACCATCGCCCAGCAGCGATGCCACGTTTACCCCCAG
ATGCTGCCCCAGCAGATCCAGCATTGCCGCTTCTATCCCGGTAACTACATGAATAGTGGT
ACGTAGGTCAAATGTCTGCAAACCGCGCCCACCAGCATCACGATCGGCAAAAGTATTACG
CACCAGCGTCAGAACGTTTTTGTATTCACCCAGCGTTTTACCTACCACCAGCGGAATCGC
ATCTTCCAGCGTTTTACGGATTTTCTCGCCGCCGGGAATTTCCCCTACGCCAGTGTGACC
AGAATTATCTTTGATAATCACAATATTACGCGTAAAGAACGGTGCGTGTGCACCACTCAG
ATTCATCAGCATACTGTCATGACCCGCCACCGGGATAACCTGCATTTCAGTAACAACAGG
CGTCGTAAATTGAGAACTCAT
PF01188
MR_MLE
function
catalytic activity
process
metabolism
process
physiological process
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object