Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06881"
| Predicate | Value (sorted: none) |
|---|---|
| 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
Acryloyl Compounds
Enones
Enolates
Polyamines
Aldehydes
acryloyl-group
enone
ketone
polyamine
enolate
aldehyde
carbonyl group
logP
-0.29
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
8.11e+00 g/l
ALOGPS
logP
0.24
ChemAxon
IUPAC Name
{[(1Z)-2-hydroxy-3-oxohex-1-en-1-yl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(1Z)-2-hydroxy-3-oxohex-1-en-1-yl]oxyphosphonic acid
ChemAxon
Molecular Weight
210.1217
ChemAxon
Monoisotopic Weight
210.029324596
ChemAxon
SMILES
CCCC(=O)C(\O)=C\OP(O)(O)=O
ChemAxon
Molecular Formula
C6H11O6P
ChemAxon
InChI
InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-
ChemAxon
InChIKey
InChIKey=HEBDCWKDNSCZMW-XQRVVYSFSA-N
ChemAxon
Polar Surface Area (PSA)
104.06
ChemAxon
Refractivity
44.89
ChemAxon
Polarizability
17.6
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.36
ChemAxon
pKa (strongest basic)
-4.5
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46937032
PubChem Substance
99443352
ChemSpider
22376141
PDB
1AE
BE0003741
2,3-diketo-5-methylthiopentyl-1-phosphate enolase
Geobacillus kaustophilus (strain HTA426)
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
2,3-diketo-5-methylthiopentyl-1-phosphate enolase
Carbohydrate transport and metabolism
Catalyzes the enolization of 2,3-diketo-5- methylthiopentyl-1-phosphate (DK-MTP-1-P) into 2-hydroxy-3-keto-5- methylthiopentenyl-1-phosphate (HK-MTPenyl-1-P)
mtnW
None
5.36
44905.2
Geobacillus kaustophilus (strain HTA426)
GeneCards
mtnW
GenBank Gene Database
BA000043
GenBank Protein Database
56378378
UniProtKB
Q5L1E2
UniProt Accession
MTNW_GEOKA
DK-MTP-1-P enolase
RLP
RuBisCO-like protein
>2,3-diketo-5-methylthiopentyl-1-phosphate enolase
MSAVMATYLLHDETDIRKKAEGIALGLTIGTWTDLPALEQEQLRKHKGEVVAIEELGESE
RVNAYFGKRLKRAIVKIAYPTVNFSADLPALLVTTFGKLSLDGEVRLLDLEFPDEWKRQF
PGPRFGIDGIRDRVGVHNRPLLMSIFKGMIGRDLAYLTSELKKQALGGVDLVKDDEILFD
SELLPFEKRITEGKAALQEVYEQTGKRTLYAVNLTGKTFALKDKAKRAAELGADVLLFNV
FAYGLDVLQALREDEEIAVPIMAHPAFSGAVTPSEFYGVAPSLWLGKLLRLAGADFVLFP
SPYGSVALEREQALGIARALTDDQEPFARAFPVPSAGIHPGLVPLIIRDFGLDTIVNAGG
GIHGHPDGAIGGGRAFRAAIDAVLAGRPLRAAAAENEALQKAIDRWGVVEVEA
>1353 bp
GTGGAAAATATCCATGACTTATGGGATCGCGTGCTCGCGGAGATTGAACAAAAAATCAGC
AAGCCGAGCTTTGAAACTTGGCTCAAGTCAACAAAAGCCCACTCTTTACGAGGTGACACG
CTCGTCATCGTAGCCCCGAACGAGTTTGCTAGAGATTGGCTTGATTCTCGCTACTCTCAT
TTGATTGCGGAAACGATCTACACCATCACGGGCGAAGAATTGGCCGTCAAGTTTATCATT
CCGCCAAATCAGGATGATGAAGAACTAGAGTTCCAGTCATCTAAGAAAAAGCAACGGAAA
CCGTATGAAGAGACAAACGATTTCCCACAAAGCATGTTAAATCCGAAATACACGTTCGAT
ACGTTTGTCATCGGCTCCGGCAACCGGTTCGCCCATGCCGCTTCACTGGCGGTCGCTGAG
GCTCCGGCCAAAGCATACAACCCCTTGTTTATCTATGGCGGCGTCGGACTTGGAAAAACA
CACTTAATGCACGCGATCGGCCATTACGTGATTGAACATAACCCATCGGCGAAAGTGGTC
TATTTATCTTCAGAGAAATTTACGAATGAGTTTATTAACGCCATCCGAGACAACCGCCCT
GACGACTTTCGCAACAAGTATCGGAACGTTGACGTCCTACTGATCGATGATATTCAGTTT
TTGGCCGGAAAAGAACAAACGCAAGAAGAATTTTTCCATACGTTTAATACGCTGCACGAG
GAGAGCAAGCAAATCGTCATCTCAAGCGATCGACCGCCGAAAGAAATCCCAACACTCGAA
GACCGCTTGCGTTCGCGCTTTGAGTGGGGGCTCATCACCGACATTACGCCGCCTGATTTG
GAGACGCGGATCGCTATCCTCCGCAAAAAGGCGAAGGCGGAGGGGTTTGACATTCCAAAC
GAGGTAATGCTTTATATCGCCAATCAAATTGACTCGAACATCCGCGAGCTTGAGGGCGCT
CTCATTCGCGTCGTCGCTTATTCGTCGCTCATCAACAAAGAGATCACCGCTGACTTGGCA
GCAGAGGCATTGAAAGACATCATCCCGAGCGCAAAGCCGAAGGTAATCACGATTCAAGAC
ATTCAGCGCGTTGTTGGACAGCATTTCAACATCAAGATGGAAGATTTTAAAGCGAAAAAG
CGAACAAAATCGGTCGCGTTCCCTCGGCAAATTGCCATGTATCTCTCCCGCGAACTGACC
GACTGTTCGTTGCCGAAAATCGGCGATGAATTTGGGGGACGCGATCATACAACCGTCATC
CACGCCCATGAAAAAATATCAAAGCTTTTGCAAACCGATACGCAGCTGCAAAGGCATATA
CAAGAGATTCAAGAAAAGCTGAAGCAACTGTGA
PF00016
RuBisCO_large
component
protein complex
component
ribulose bisphosphate carboxylase complex
component
ribulose bisphosphate carboxylase complex (sensu Magnoliophyta)
function
lyase activity
function
carbon-carbon lyase activity
function
carboxy-lyase activity
function
ribulose-bisphosphate carboxylase activity
function
catalytic activity
process
metabolism
process
carbon utilization
process
carbon utilization by fixation of carbon dioxide
process
physiological process
"
|
| rdfs:label |
"(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object