Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03237"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,3-Dihydroxy-5-Oxo-Hexanedioate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Sugar Acids and Derivatives
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Sugar Acids and Derivatives
Hexoses
Medium-chain Hydroxy Acids and Derivatives
Medium-chain Keto Acids and Derivatives
Beta Hydroxy Acids and Derivatives
Alpha Keto-Acids and Derivatives
Dicarboxylic Acids and Derivatives
Fatty Acids and Conjugates
Secondary Alcohols
1,2-Diols
Ketones
Carboxylic Acid Salts
Enolates
Polyamines
Aldehydes
Keto Acids and Derivatives
keto acid
hydroxy acid
monosaccharide
dicarboxylic acid derivative
alpha-keto acid
1,2-diol
secondary alcohol
ketone
polyamine
enolate
carboxylic acid salt
carboxylic acid derivative
carbonyl group
alcohol
aldehyde
logP
-1.4
ALOGPS
logS
0.06
ALOGPS
Water Solubility
2.62e+02 g/l
ALOGPS
logP
-1.5
ChemAxon
IUPAC Name
(2R,3S)-2,3-dihydroxy-5-oxohexanedioate
ChemAxon
Traditional IUPAC Name
(2R,3S)-2,3-dihydroxy-5-oxohexanedioate
ChemAxon
Molecular Weight
190.1076
ChemAxon
Monoisotopic Weight
190.011352546
ChemAxon
SMILES
O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O
ChemAxon
Molecular Formula
C6H6O7
ChemAxon
InChI
InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1
ChemAxon
InChIKey
InChIKey=QUURPCHWPQNNGL-ZAFYKAAXSA-L
ChemAxon
Polar Surface Area (PSA)
137.79
ChemAxon
Refractivity
57.86
ChemAxon
Polarizability
14.69
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.5
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
42819
PubChem Compound
5288442
PubChem Substance
46506322
PDB
GLR
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
physiological process
process
metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object