Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01991"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tu-514"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the heterocyclic fatty acids. These are fatty acids containing an heterocyclic attached to the acyl chain.
Heterocyclic Fatty Acids
Organic Compounds
Lipids
Fatty Acids and Conjugates
Heterocyclic Fatty Acids
Oxanes
Secondary Alcohols
Carboxylic Acid Esters
Hydroxamic Acids
Primary Alcohols
Ethers
Enolates
Polyamines
oxane
carboxamide group
secondary alcohol
hydroxamic acid
carboxylic acid ester
enolate
ether
polyamine
carboxylic acid derivative
primary alcohol
amine
alcohol
organonitrogen compound
logP
3.77
ALOGPS
logS
-4.1
ALOGPS
Water Solubility
3.49e-02 g/l
ALOGPS
logP
2.95
ChemAxon
IUPAC Name
(2S,3R,4S,5S)-3-hydroxy-5-[(hydroxycarbamoyl)methyl]-2-(hydroxymethyl)oxan-4-yl tetradecanoate
ChemAxon
Traditional IUPAC Name
(2S,3R,4S,5S)-3-hydroxy-5-[(hydroxycarbamoyl)methyl]-2-(hydroxymethyl)oxan-4-yl tetradecanoate
ChemAxon
Molecular Weight
431.5634
ChemAxon
Monoisotopic Weight
431.288302671
ChemAxon
SMILES
CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](CC(=O)NO)CO[C@@H](CO)[C@@H]1O
ChemAxon
Molecular Formula
C22H41NO7
ChemAxon
InChI
InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18-,21-,22-/m0/s1
ChemAxon
InChIKey
InChIKey=INAPDIIIYSWKOC-GPHNJDIKSA-N
ChemAxon
Polar Surface Area (PSA)
125.32
ChemAxon
Refractivity
112.46
ChemAxon
Polarizability
49.97
ChemAxon
Rotatable Bond Count
17
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
8.9
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936279
PubChem Substance
46506311
ChemSpider
2631225
PDB
TUX
BE0001333
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
Aquifex aeolicus (strain VF5)
# 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
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
Cell wall/membrane/envelope biogenesis
Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell
lpxC
Cytoplasmic
None
6.75
32145.0
Aquifex aeolicus (strain VF5)
GenBank Gene Database
AE000657
GenBank Protein Database
2984065
UniProtKB
O67648
UniProt Accession
LPXC_AQUAE
EC 3.5.1.-
UDP-3-O-acyl-GlcNAc deacetylase
>UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
MGLEKTVKEKLSFEGVGIHTGEYSKLIIHPEKEGTGIRFFKNGVYIPARHEFVVHTNHST
DLGFKGQRIKTVEHILSVLHLLEITNVTIEVIGNEIPILDGSGWEFYEAIRKNILNQNRE
IDYFVVEEPIIVEDEGRLIKAEPSDTLEVTYEGEFKNFLGRQKFTFVEGNEEEIVLARTF
CFDWEIEHIKKVGLGKGGSLKNTLVLGKDKVYNPEGLRYENEPVRHKVFDLIGDLYLLGS
PVKGKFYSFRGGHSLNVKLVKELAKKQKLTRDLPHLPSVQAL
>849 bp
ATGGGATTAGAAAAGACGGTTAAAGAGAAATTAAGCTTTGAGGGTGTCGGTATACACACA
GGTGAATACTCAAAATTAATCATACATCCCGAAAAAGAAGGAACAGGAATCAGGTTTTTC
AAGAACGGAGTTTACATACCCGCAAGACATGAGTTCGTCGTTCACACAAATCACTCCACG
GATTTAGGCTTTAAAGGGCAAAGAATAAAAACGGTTGAACACATACTTTCCGTTCTCCAC
CTACTTGAGATAACAAACGTGACAATAGAAGTAATAGGGAACGAAATCCCTATACTTGAC
GGAAGTGGCTGGGAATTCTACGAAGCCATTAGGAAAAATATTCTCAATCAGAACAGAGAA
ATAGATTACTTTGTTGTAGAAGAACCCATTATCGTGGAAGACGAGGGAAGATTGATAAAG
GCAGAACCTTCAGACACGCTTGAGGTCACCTACGAGGGAGAATTTAAAAATTTCCTGGGA
AGGCAGAAGTTTACCTTTGTTGAAGGGAACGAAGAAGAAATAGTCCTTGCGCGGACTTTT
TGCTTTGACTGGGAAATAGAACACATTAAAAAAGTCGGTCTTGGGAAGGGAGGAAGCCTG
AAAAACACCCTCGTTCTCGGAAAGGATAAAGTGTACAACCCTGAAGGGCTAAGATACGAA
AACGAACCTGTAAGACACAAAGTGTTTGACCTTATAGGAGACCTTTACCTCCTTGGAAGT
CCCGTAAAAGGTAAGTTTTACTCCTTCAGGGGAGGGCACTCGCTCAACGTAAAACTCGTA
AAAGAGCTTGCAAAGAAACAAAAACTTACTCGTGATTTACCTCACCTTCCTTCCGTCCAA
GCTCTCTGA
PF03331
LpxC
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
function
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity
function
catalytic activity
process
metabolism
process
primary metabolism
process
lipid metabolism
process
cellular lipid metabolism
process
lipid A metabolism
process
physiological process
process
lipid A biosynthesis
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object