Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03135"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"[2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid"
|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.
Organic Phosphonic Acids
Organic Compounds
Organophosphorus Compounds
Organic Phosphonic Acids and Derivatives
Organic Phosphonic Acids
Polyamines
Carboxylic Acids and Derivatives
carboxylic acid derivative
polyamine
amine
organonitrogen compound
logP
-1.2
ALOGPS
logS
-0.9
ALOGPS
Water Solubility
2.15e+01 g/l
ALOGPS
logP
-2.4
ChemAxon
IUPAC Name
[2-(N-hydroxyformamido)ethyl]phosphonic acid
ChemAxon
Traditional IUPAC Name
2-(N-hydroxyformamido)ethylphosphonic acid
ChemAxon
Molecular Weight
169.0731
ChemAxon
Monoisotopic Weight
169.014008883
ChemAxon
SMILES
ON(CCP(O)(O)=O)C=O
ChemAxon
Molecular Formula
C3H8NO5P
ChemAxon
InChI
InChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)
ChemAxon
InChIKey
InChIKey=NBAIGNUEKZLOMI-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
98.07
ChemAxon
Refractivity
31.97
ChemAxon
Polarizability
13.13
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.79
ChemAxon
pKa (strongest basic)
-5.7
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
446273
PubChem Substance
46504457
PDB
129
BE0003844
Triosephosphate isomerase
Human
# 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
# 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
Triosephosphate isomerase
Carbohydrate transport and metabolism
D-glyceraldehyde 3-phosphate = glycerone phosphate
TPI1
12p13
None
6.91
26669.3
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:12009
GeneCards
TPI1
GenBank Gene Database
M10036
GenBank Protein Database
339841
UniProtKB
P60174
UniProt Accession
TPIS_HUMAN
TIM
Triose-phosphate isomerase
>Triosephosphate isomerase
MAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKI
AVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAE
GLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQ
QAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPE
FVDIINAKQ
>750 bp
GCGACACTGACCTTCAGCGCCTCGGCTCGGCCATGGCGCCCTCCAGGAAGTTCTTCGTTG
GGGGAAACTGGAAGATGAACGGGCGGAAGCAGAGTCTGGGGGAGCTCATCGGCACTCTGA
ACGCGGCCAAGGTGCCGGCCGACACCGAGGTGGTTTGTGCTCCCCCTACTGCCTATATCG
ACTTCGCCCGGCAGAAGCTAGATCCCAAGATTGCTGTGGCTGCGCAGAACTGCTACAAAG
TGACTAATGGGGCTTTTACTGGGGAGATCAGCCCTGGCATGATCAAAGACTGCGGAGCCA
CGTGGGTGGTCCTGGGACACTCAGAGAGAAGGCATGTCTTTGGGGAGTCAGATGAGCTGA
TTGGGCAGAAAGTGGCCCATGCTCTGGCAGAGGGACTCGGAGTAATCGCCTGCATTGGGG
AGAAGCTAGATGAAAGGGAAGCTGGCATCACTGAGAAGGTTGTTTTCGAGCAGACAAAGG
TCATCGCAGATAACGTGAAGGACTGGAGCAAGGTCGTCCTCGCCTATGAGCCTGTGTGGG
CCATTGGTACTGGCAAGACTGCAACACCCCAACAGGCCCAGGAAGTACACGAGAAGCTCC
GAGGATGGCTGAAGTCCAACGTCTCTGATGCGGTGGCTCAGAGCACCCGTATCATTTATG
GAGGCTCTGTGACTGGGGCAACCTGCAAGGAGCTGGCCAGCCAGCCTGATGTGGATGGCT
TCCTTGTGGGTGGTGCTTCCCTCAAGCCCG
PF00121
TIM
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
function
triose-phosphate isomerase activity
function
catalytic activity
function
isomerase activity
function
intramolecular oxidoreductase activity
process
physiological process
process
metabolism
"
|
| 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