Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03284"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,6-Anhydro-3-Deoxy-D-Erythro-Hex-2-Enonic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the pyran carboxylic acids and derivatives. These are compounds containing a pyran ring which bears a carboxylic acid group (or a derivative thereof).
Pyran Carboxylic Acids and Derivatives
Organic Compounds
Heterocyclic Compounds
Pyrans
Pyran Carboxylic Acids and Derivatives
Secondary Alcohols
1,2-Diols
Polyamines
Carboxylic Acids
Enolates
1,2-diol
secondary alcohol
enolate
carboxylic acid derivative
carboxylic acid
polyamine
alcohol
logP
-1.1
ALOGPS
logS
0.23
ALOGPS
Water Solubility
2.74e+02 g/l
ALOGPS
logP
-1.5
ChemAxon
IUPAC Name
(3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
ChemAxon
Traditional IUPAC Name
(4R,5R)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
ChemAxon
Molecular Weight
160.1247
ChemAxon
Monoisotopic Weight
160.037173366
ChemAxon
SMILES
O[C@@H]1COC(=C[C@H]1O)C(O)=O
ChemAxon
Molecular Formula
C6H8O5
ChemAxon
InChI
InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m1/s1
ChemAxon
InChIKey
InChIKey=GQECVRZDTXJRPX-QWWZWVQMSA-N
ChemAxon
Polar Surface Area (PSA)
86.99
ChemAxon
Refractivity
35.12
ChemAxon
Polarizability
14.02
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
3.45
ChemAxon
pKa (strongest basic)
-3.4
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936630
PubChem Substance
46506888
PDB
GAD
BE0002584
Chondroitinase (Chondroitin lyase)
Arthrobacter aurescens
unknown
Chondroitinase (Chondroitin lyase)
Involved in catalytic activity
None
6.52
79929.0
Arthrobacter aurescens
UniProtKB
P84141
UniProt Accession
P84141_ARTAU
Chondroitin lyase
>Chondroitinase
EAEPGAAEFAALRNRWVDQITGRNVIQAGDPDFAKAITALNNKAADSLAKLDVKKGRTSV
FTDLSLAKDAEMVTTYTRLSQLATAWATPTAAVFGDAAVLAAIKAGLADANTLCYNDRKE
EVGNWWSWEIGVPRALADAMVLLHAELSAAERTAYCAAIDHFVPDPWLQFPPKRGKITSV
GANRVDLCQGIIIRSLAGEDPTKLNHAVAGLSQVWQYVTSGDGIFRDGSFIQHSTTPYTG
SYGVVLLTGLSKLFSLLGGTAFEVSDPTRSIFFDAVEGSFAPVMINGAMADAVRGRSISR
EANTGYDLGASAIEAILLLARAMDPATAARWRGLCAGWIARDTYRPILNSASVPRTALVK
QLEATGVAPVAEATGHKLFPAMDRTMHRGPGWALSLALSSNRIAWYECGNGENNRGYHTG
SGMTYFYTSDLGQYDDAFWATANYNRLPGITVDTTPLPDKVEGQWGAAVPADEWSGATAL
GEVAAVGQHLVGPGRTGLTARKSWFVSGDVTVCLGADISTASGAKVETIVDHRNLHQGSN
TLTTAAGTIAGTAGTVEVLGDGRWVHLEGFGGYAMLDDSPLHVLRETRSGSWSGVNINGS
ATVQQRNFATLYVNHGVGPVAGSYAYMVAPGASVDLTRKLLEGNKYSVIRNDATAQSVEF
KTAKTTAATFWKPGMAGDLGASGPACVVFSRHGNELSLAVSEPTQKAAGLTLTLPEGTWS
SVLEGAGTLGTDADGRSTLTLDTTGLSGKTKLIKLKR
PF02278
Lyase_8
PF08124
Lyase_8_N
component
extracellular region
function
catalytic activity
function
lyase activity
function
carbon-oxygen lyase activity
function
carbon-oxygen lyase activity, acting on polysaccharides
"
|
| 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