Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03085"
Predicate | Value (sorted: none) |
---|---|
ns1:drugCategory | |
ns1:description |
"
79-14-1
experimental
David Y. Tang, Arthur M. Foster, "(3-Trifluoromethylphenyl)-alpha-hydroxyacetic acid and process for preparation." U.S. Patent US4296244, issued January, 1977.
This compound belongs to the alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
Alpha Hydroxy Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Hydroxy Acids and Derivatives
Alpha Hydroxy Acids and Derivatives
Primary Alcohols
Polyamines
Enolates
Carboxylic Acids
carboxylic acid derivative
enolate
carboxylic acid
polyamine
primary alcohol
alcohol
Hydroxyethanoic Acid
Keratolytic Agents
logP
-1
ALOGPS
logS
0.9
ALOGPS
Water Solubility
6.08e+02 g/l
ALOGPS
logP
-1
ChemAxon
IUPAC Name
2-hydroxyacetic acid
ChemAxon
Traditional IUPAC Name
hydroxyacetic acid
ChemAxon
Molecular Weight
76.0514
ChemAxon
Monoisotopic Weight
76.016043994
ChemAxon
SMILES
OCC(O)=O
ChemAxon
Molecular Formula
C2H4O3
ChemAxon
InChI
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
ChemAxon
InChIKey
InChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
57.53
ChemAxon
Refractivity
14.35
ChemAxon
Polarizability
6.2
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
3.53
ChemAxon
pKa (strongest basic)
-3.6
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Melting Point
79.5 °C
PhysProp
logP
-1.11
HANSCH,C ET AL. (1995)
pKa
3.83
SERJEANT,EP & DEMPSEY,B (1979)
ChEBI
29805
PubChem Compound
757
PubChem Substance
46508186
KEGG Compound
C00160
PDB
GOA
BE0001089
Glucose-6-phosphate 1-dehydrogenase
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
unknown
Glucose-6-phosphate 1-dehydrogenase
Carbohydrate transport and metabolism
Produces pentose sugars for nucleic acid synthesis and main producer of NADPH reducing power
G6PD
Xq28
None
6.84
59257.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:4057
GenAtlas
G6PD
GeneCards
G6PD
GenBank Gene Database
X03674
GenBank Protein Database
31543
UniProtKB
P11413
UniProt Accession
G6PD_HUMAN
EC 1.1.1.49
G6PD
>Glucose-6-phosphate 1-dehydrogenase
MAEQVALSRTQVCGILREELFQGDAFHQSDTHIFIIMGASGDLAKKKIYPTIWWLFRDGL
LPENTFIVGYARSRLTVADIRKQSEPFFKATPEEKLKLEDFFARNSYVAGQYDDAASYQR
LNSHMNALHLGSQANRLFYLALPPTVYEAVTKNIHESCMSQIGWNRIIVEKPFGRDLQSS
DRLSNHISSLFREDQIYRIDHYLGKEMVQNLMVLRFANRIFGPIWNRDNIACVILTFKEP
FGTEGRGGYFDEFGIIRDVMQNHLLQMLCLVAMEKPASTNSDDVRDEKVKVLKCISEVQA
NNVVLGQYVGNPDGEGEATKGYLDDPTVPRGSTTATFAAVVLYVENERWDGVPFILRCGK
ALNERKAEVRLQFHDVAGDIFHQQCKRNELVIRVQPNEAVYTKMMTKKPGMFFNPEESEL
DLTYGNRYKNVKLPDAYERLILDVFCGSQMHFVRSDELREAWRIFTPLLHQIELEKPKPI
PYIYGSRGPTEADELMKRVGFQYEGTYKWVNPHKL
>1548 bp
ATGGCAGAGCAGGTGGCCCTGAGCCGGACCCACGTGTGCGGGATCCTGCGGGAAGAGCTT
TTCCAGGGCGATGCCTTCCATCAGTCGGATACACACATATTCATCATCATGGGTGCATCG
GGTGACCTGGCCAAGAAGAAGATCTACCCCACCATCTGGTGGCTGTTCCGGGATGGCCTT
CTGCCCGAAAACACCTTCATCGTGGGCTATGCCCGTTCCCGCCTCACAGTGGCTGACATC
CGCAAACAGAGTGAGCCCTTCTTCAAGGCCACCCCAGAGGAGAAGCTCAAGCTGGAGGAC
TTCTTTGCCCGCAACTCCTATGTGGCTGGCCAGTACGATGATGCAGCCTCCTACCAGCGC
CTCAACAGCCACATGAATGCCCTCCACCTGGGGTCACAGGCCAACCGCCTCTTCTACCTG
GCCTTGCCCCCGACCGTCTACGAGGCCGTCACCAAGAACATTCACGAGTCCTGCATGAGC
CAGATAGGCTGGAACCGCATCATCGTGGAGAAGCCCTTCGGGAGGGACCTGCAGAGCTCT
GACCGGCTGTCCAACCACATCTCCTCCCTGTTCCGTGAGGACCAGATCTACCGCATCGAC
CACTACCTGGGCAAGGAGATGGTGCAGAACCTCATGGTGCTGAGATTTGCCAACAGGATC
TTCGGCCCCATCTGGAACCGGGACAACATCGCCTGCGTTATCCTCACCTTCAAGGAGCCC
TTTGGCACTGAGGGTCGCGGGGGCTATTTCGATGAATTTGGGATCATCCGGGACGTGATG
CAGAACCACCTACTGCAGATGCTGTGTCTGGTGGCCATGGAGAAGCCCGCCTCCACCAAC
TCAGATGACGTCCGTGATGAGAAGGTCAAGGTGTTGAAATGCATCTCAGAGGTGCAGGCC
AACAATGTGGTCCTGGGCCAGTACGTGGGGAACCCCGATGGAGAGGGCGAGGCCACCAAA
GGGTACCTGGACGACCCCACGGTGCCCCGCGGGTCCACCACCGCCACTTTTGCAGCCGTC
GTCCTCTATGTGGAGAATGAGAGGTGGGATGGGGTGCCCTTCATCCTGCGCTGCGGCAAG
GCCCTGAACGAGCGCAAGGCCGAGGTGAGGCTGCAGTTCCATGATGTGGCCGGCGACATC
TTCCACCAGCAGTGCAAGCGCAACGAGCTGGTGATCCGCGTGCAGCCCAACGAGGCCGTG
TACACCAAGATGATGACCAAGAAGCCGGGCATGTTCTTCAACCCCGAGGAGTCGGAGCTG
GACCTGACCTACGGCAACAGATACAAGAACGTGAAGCTCCCTGACGCCTACGAGCGCCTC
ATCCTGGACGTCTTCTGCGGGAGCCAGATGCACTTCGTGCGCAGCGACGAGCTCCGTGAG
GCCTGGCGTATTTTCACCCCACTGCTGCACCAGATTGAGCTGGAGAAGCCCAAGCCCATC
CCCTATATTTATGGCAGCCGAGGCCCCACGGAGGCAGACGAGCTGATGAAGAGAGTGGGT
TTCCAGTATGAGGGCACCTACAAGTGGGTGAACCCCCACAAGCTCTGA
PF02781
G6PD_C
PF00479
G6PD_N
function
oxidoreductase activity
function
oxidoreductase activity, acting on CH-OH group of donors
function
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
function
glucose-6-phosphate 1-dehydrogenase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
alcohol metabolism
process
monosaccharide metabolism
process
hexose metabolism
process
glucose metabolism
process
physiological process
BE0001590
Glycine oxidase
Bacillus subtilis (strain 168)
# 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
Glycine oxidase
Amino acid transport and metabolism
This deaminating oxidase catalyzes the oxidation of sarcosine (N-methylglycine), N-ethylglycine and glycine. Lower activities on D-alanine, D-valine, and D-proline are detected. Does not act on L-amino acids and other D-amino acids
thiO
Cytoplasm (Probable)
None
6.32
40937.0
Bacillus subtilis (strain 168)
GenBank Gene Database
Z99110
GenBank Protein Database
2633520
UniProtKB
O31616
UniProt Accession
GLOX_BACSU
EC 1.4.3.19
>Glycine oxidase
MKRHYEAVVIGGGIIGSAIAYYLAKENKNTALFESGTMGGRTTSAAAGMLGAHAECEERD
AFFDFAMHSQRLYKGLGEELYALSGVDIRQHNGGMFKLAFSEEDVLQLRQMDDLDSVSWY
SKEEVLEKEPYASGDIFGASFIQDDVHVEPYFVCKAYVKAAKMLGAEIFEHTPVLHVERD
GEALFIKTPSGDVWANHVVVASGVWSGMFFKQLGLNNAFLPVKGECLSVWNDDIPLTKTL
YHDHCYIVPRKSGRLVVGATMKPGDWSETPDLGGLESVMKKAKTMLPAIQNMKVDRFWAG
LRPGTKDGKPYIGRHPEDSRILFAAGHFRNGILLAPATGALISDLIMNKEVNQDWLHAFR
IDRKEAVQI
>1110 bp
ATGAAAAGGCATTATGAAGCAGTGGTGATTGGAGGCGGAATTATCGGTTCCGCAATTGCT
TATTATTTGGCAAAGGAAAACAAAAACACCGCATTGTTTGAAAGCGGAACAATGGGCGGC
AGAACGACAAGTGCCGCTGCCGGAATGCTGGGCGCCCATGCCGAATGCGAGGAACGTGAC
GCGTTTTTTGATTTCGCTATGCACAGTCAGCGTCTGTACAAAGGTCTTGGAGAAGAGCTT
TATGCATTATCCGGTGTGGATATCAGGCAGCATAACGGCGGTATGTTTAAGCTTGCATTT
TCTGAAGAAGATGTGCTGCAGCTGAGACAGATGGACGATTTGGACTCTGTCAGCTGGTAT
TCAAAAGAAGAGGTGTTAGAAAAAGAGCCGTATGCGTCTGGTGACATCTTTGGTGCATCT
TTTATTCAGGATGATGTGCATGTGGAGCCTTATTTTGTTTGCAAGGCATATGTGAAAGCA
GCAAAAATGCTTGGGGCGGAGATTTTTGAGCATACGCCCGTCCTGCATGTCGAACGTGAC
GGTGAAGCCCTGTTCATCAAGACCCCTAGCGGAGACGTATGGGCTAATCATGTTGTCGTT
GCCAGCGGGGTGTGGAGCGGAATGTTTTTTAAACAGCTTGGACTGAACAATGCTTTTCTC
CCTGTAAAAGGGGAGTGCCTGTCCGTTTGGAATGATGATATCCCGCTGACAAAAACGCTT
TACCATGATCACTGCTATATCGTACCGAGAAAAAGCGGAAGACTGGTTGTCGGCGCGACA
ATGAAGCCGGGGGACTGGAGTGAAACACCGGATCTTGGCGGATTGGAATCTGTTATGAAA
AAAGCAAAAACGATGCTGCCGGCTATACAGAATATGAAGGTGGATCGTTTTTGGGCGGGA
CTCCGTCCGGGAACAAAGGATGGAAAACCGTACATCGGCAGACATCCTGAGGACAGCCGT
ATTTTATTTGCGGCTGGCCATTTCAGAAACGGGATCCTGCTTGCTCCCGCAACGGGCGCT
TTGATCAGTGATCTCATCATGAATAAAGAGGTCAACCAAGACTGGCTGCACGCATTCCGA
ATTGATCGCAAGGAGGCGGTTCAGATATGA
PF01266
DAO
function
catalytic activity
function
oxidoreductase activity
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
process
metabolism
process
cellular metabolism
"
|
rdfs:label |
"Hydroxyacetic Acid"
|
owl:sameAs | |
rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object