Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02879"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,3-Di-O-Sulfo-Alpha-D-Glucopyranose"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.
Hexoses
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Sulfuric Acid Monoesters
Oxanes
Secondary Alcohols
Hemiacetals
Polyamines
Primary Alcohols
sulfuric acid monoester
sulfate-ester
oxane
sulfuric acid derivative
secondary alcohol
hemiacetal
polyamine
ether
primary alcohol
alcohol
logP
-2.5
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
1.03e+01 g/l
ALOGPS
logP
-6.8
ChemAxon
IUPAC Name
[(2S,3S,4S,5S,6S)-2,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3S,4S,5S,6S)-2,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid
ChemAxon
Molecular Weight
340.282
ChemAxon
Monoisotopic Weight
339.977017228
ChemAxon
SMILES
OC[C@@H]1O[C@H](O)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H]1O
ChemAxon
Molecular Formula
C6H12O12S2
ChemAxon
InChI
InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4-,5-,6-/m0/s1
ChemAxon
InChIKey
InChIKey=ORUZACWROKWTRH-RUTHBDMASA-N
ChemAxon
Polar Surface Area (PSA)
197.12
ChemAxon
Refractivity
55.91
ChemAxon
Polarizability
26.75
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
-2.6
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936517
PubChem Substance
46507774
PDB
PDX
BE0001895
47 kDa membrane antigen
Treponema pallidum (strain Nichols)
# 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
47 kDa membrane antigen
This antigen is a pathogen-specific membrane immunogen. Most abundant of the membrane lipoproteins, only found so far in pathogenic treponemes, suggesting that it is an important structural moiety in the cell envelope of virulent treponemal subspecies
TP_0574
Cell membrane; lipid-anchor (Probable)
None
5.34
47666.0
Treponema pallidum (strain Nichols)
GenBank Gene Database
M88769
GenBank Protein Database
155053
UniProtKB
P29723
UniProt Accession
TA47_TREPA
47 kDa membrane antigen precursor
>47 kDa membrane antigen precursor
MKVKYALLSAGALQLLVVGCGSSHHETHYGYATLSYADYWAGELGQSRDVLLAGNAEADR
AGDLDAGMFDAVSRATHGHGAFRQQFQYAVEVLGEKVLSKQETEDSRGRKKWEYETDPSV
TKMVRASASFQDLGEDGEIKFEAVEGAVALADRASSFMVDSEEYKITNVKVHGMKFVPVA
VPHELKGIAKEKFHFVEDSRVTENTNGLKTMLTEDSFSARKVSSMESPHDLVVDTVGTGY
HSRFGSDAEASVMLKRADGSELSHREFIDYVMNFNTVRYDYYGDDASYTNLMASYGTKHS
ADSWWKTGRVPRISCGINYGFDRFKGSGPGYYRLTLIANGYRDVVADVRFLPKYEGNIDI
GLKGKVLTIGGADAETLMDAAVDVFADGQPKLVSDQAVSLGQNVLSADFTPGTEYTVEVR
FKEFGSVRAKVVAQ
>1305 bp
GTGAAAGTGAAATACGCACTACTTTCTGCCGGAGCGCTGCAGTTGTTGGTTGTAGGCTGT
GGCTCGTCTCATCATGAGACGCACTATGGCTATGCGACGCTAAGCTATGCGGACTACTGG
GCCGGGGAGTTGGGGCAGAGTAGGGACGTGCTTTTGGCGGGTAATGCCGAGGCGGACCGC
GCGGGGGATCTCGACGCAGGCATGTTCGATGCAGTTTCTCGCGCAACCCACGGGCATGGC
GCGTTCCGTCAGCAATTTCAGTACGCGGTTGAGGTATTGGGCGAAAAGGTTCTCTCGAAG
CAGGAGACCGAAGACAGCAGGGGAAGAAAAAAGTGGGAGTACGAGACTGACCCAAGCGTT
ACTAAGATGGTGCGTGCCTCTGCGTCATTTCAGGATTTGGGAGAGGACGGGGAGATTAAG
TTTGAAGCAGTCGAGGGTGCAGTAGCGTTGGCGGATCGCGCGAGTTCCTTCATGGTTGAC
AGCGAGGAATACAAGATTACGAACGTAAAGGTTCACGGTATGAAGTTTGTCCCAGTTGCG
GTTCCTCATGAATTAAAAGGGATTGCAAAGGAGAAGTTTCACTTCGTGGAAGACTCCCGC
GTTACGGAGAATACCAACGGCCTTAAGACAATGCTCACTGAGGATAGTTTTTCTGCACGT
AAGGTAAGCAGCATGGAGAGCCCGCACGACCTTGTGGTAGACACGGTGGGTACCGTCTAC
CACAGCCGTTTTGGTTCGGACGCAGAGGCTTCTGTGATGCTGAAAAGGGCTGATGGCTCT
GAGCTGTCGCACCGTGAGTTCATCGACTATGTGATGAACTTCAACACGGTCCGCTACGAC
TACTACGGTGATGACGCGAGCTACACCAATCTGATGGCGAGTTATGGCACCAAGCACTCT
GCTGACTCCTGGTGGAAGACAGGAAGAGTGCCCCGCATTTCGTGTGGTATCAACTATGGG
TTCGATCGGTTTAAAGGTTCAGGGCCGGGATACTACAGGCTGACTTTGATTGCGAACGGG
TATAGGGACGTAGTTGCTGATGTGCGCTTCCTTCCCAAGTACGAGGGGAACATCGATATT
GGGTTGAAGGGGAAGGTGCTGACCATAGGGGGCGCGGACGCGGAGACTCTGATGGATGCT
GCAGTTGACGTGTTTGCCGATGGACAGCCTAAGCTTGTCAGCGATCAAGCGGTGAGCTTG
GGGCAGAATGTCCTCTCTGCGGATTTCACTCCCGGCACTGAGTACACGGTTGAGGTTAGG
TTCAAGGAATTCGGTTCTGTGCGTGCGAAGGTAGTGGCCCAGTAG
"
|
| 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