Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03570"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.
Polyols
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Polyols
Hemiaminals
Polyamines
polyamine
amine
organonitrogen compound
logP
-0.1
ALOGPS
logS
-0.73
ALOGPS
Water Solubility
2.97e+01 g/l
ALOGPS
logP
-5.7
ChemAxon
IUPAC Name
tris(hydroxymethyl)(methyl)azanium
ChemAxon
Traditional IUPAC Name
tris(hydroxymethyl)(methyl)azanium
ChemAxon
Molecular Weight
122.143
ChemAxon
Monoisotopic Weight
122.081718255
ChemAxon
SMILES
C[N+](CO)(CO)CO
ChemAxon
Molecular Formula
C4H12NO3
ChemAxon
InChI
InChI=1S/C4H12NO3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3/q+1
ChemAxon
InChIKey
InChIKey=DRDCQJADRSJFFD-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
60.69
ChemAxon
Refractivity
39.21
ChemAxon
Polarizability
12.41
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
11.84
ChemAxon
pKa (strongest basic)
-4
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
4468930
PubChem Substance
46508278
PDB
144
BE0004567
Pantothenate synthetase
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
# 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
Pantothenate synthetase
panC
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
UniProtKB
Q5SHF5
UniProt Accession
PANC_THET8
BE0001337
Azurin
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
# 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
Azurin
Energy production and conversion
Transfers electrons from cytochrome c551 to cytochrome oxidase
azu
Periplasm
None
6.93
16009.0
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
GenBank Gene Database
X07317
GenBank Protein Database
45292
UniProtKB
P00282
UniProt Accession
AZUR_PSEAE
Azurin precursor
>Azurin precursor
MLRKLAAVSLLSLLSAPLLAAECSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLP
KNVMGHNWVLSTAADMQGVVTDGMASGLDKDYLKPDDSRVIAHTKLIGSGEKDSVTFDVS
KLKEGEQYMFFCTFPGHSALMKGTLTLK
>447 bp
ATGCTACGTAAACTCGCTGCGGTATCCCTGCTGTCCCTGCTCAGTGCGCCGCTGCTGGCT
GCCGAGTGCTCGGTGGACATCCAGGGTAACGACCAGATGCAGTTCAACACCAATGCCATC
ACCGTCGACAAGAGCTGCAAGCAGTTCACCGTCAACCTGTCCCACCCCGGCAACCTGCCG
AAGAACGTCATGGGCCACAACTGGGTACTGAGCACCGCCGCCGACATGCAGGGCGTGGTC
ACCGACGGCATGGCTTCCGGCCTGGACAAGGATTACCTGAAGCCCGACGACAGCCGCGTC
ATCGCCCACACCAAGCTGATCGGCTCGGGCGAGAAGGACTCGGTGACCTTCGACGTCTCC
AAGCTGAAGGAAGGCGAGCAGTACATGTTCTTCTGCACCTTCCCGGGCCACTCCGCGCTG
ATGAAGGGCACCCTGACCCTGAAGTGA
PF00127
Copper-bind
function
ion binding
function
cation binding
function
transition metal ion binding
function
transporter activity
function
electron transporter activity
function
binding
function
copper ion binding
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
BE0001562
Regulatory protein TenI
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
Regulatory protein TenI
Coenzyme transport and metabolism
Reduces the stimulatory effect of the tenA transcriptional activator on production of certain extracellular enzymes. Is not an essential protein, but affects the sporulation frequency
tenI
None
8.49
22929.0
Bacillus subtilis (strain 168)
GenBank Gene Database
M73546
UniProtKB
P25053
UniProt Accession
TENI_BACSU
>Regulatory protein tenI
MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLV
MNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLF
GHVFETDCKKGLEGRGVSLLSDIKQRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIF
SSAEPLEAARRYSRKLKEMRYEKAL
>618 bp
GTGGAGCTTCACGCCATAACGGATGACAGCAAGCCGGTAGAAGAGCTAGCGAGAATCATC
ATTACGATTCAGAATGAAGTTGATTTTATTCACATTCGGGAACGCTCAAAATCGGCGGCG
GATATTTTGAAACTGCTCGATCTTATTTTTGAAGGCGGTATAGATAAACGAAAATTGGTG
ATGAACGGGCGCGTGGATATTGCACTTTTCTCTACTATTCACCGCGTGCAGCTGCCAAGC
GGCAGCTTTTCACCGAAGCAGATCAGAGCCAGATTTCCACACCTTCATATCGGGAGGTCG
GTGCATTCACTGGAGGAAGCGGTTCAAGCAGAAAAGGAAGACGCGGACTACGTGCTGTTC
GGCCATGTGTTTGAAACGGATTGCAAAAAGGGTCTTGAAGGCAGAGGAGTATCTTTGCTG
TCAGATATCAAACAGCGGATTTCCATCCCGGTTATAGCCATCGGGGGGATGACGCCGGAC
AGGTTAAGAGACGTAAAACAAGCAGGGGCAGACGGCATTGCTGTTATGTCAGGAATTTTC
TCTTCCGCTGAACCTTTGGAAGCAGCCAGACGATATTCCCGCAAGCTAAAGGAGATGCGC
TATGAAAAGGCATTATGA
PF02581
TMP-TENI
function
catalytic activity
function
ion binding
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
nicotinate-nucleotide diphosphorylase (carboxylating) activity
function
transferase activity, transferring alkyl or aryl (other than methyl) groups
function
metal ion binding
function
thiamin-phosphate diphosphorylase activity
function
binding
function
magnesium ion binding
process
vitamin metabolism
process
metabolism
process
water-soluble vitamin metabolism
process
cellular metabolism
process
thiamin and derivative metabolism
process
thiamin metabolism
process
pyridine nucleotide biosynthesis
process
NAD biosynthesis
process
cofactor metabolism
process
coenzyme metabolism
process
physiological process
process
coenzyme biosynthesis
process
thiamin biosynthesis
"
|
| rdf:type | |
| rdfs:label |
"Tris-Hydroxymethyl-Methyl-Ammonium"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object