Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02686"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Undecyl-Beta-D-Maltopyranoside"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.
Alkyl Glycosides
Organic Compounds
Lipids
Alkyl Glycosides
Dihexoses
O-glycosyl Compounds
Oxanes
Secondary Alcohols
1,2-Diols
Primary Alcohols
Acetals
Polyamines
oxane
saccharide
polyol
secondary alcohol
1,2-diol
primary alcohol
polyamine
acetal
ether
alcohol
logP
1.02
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
3.84e+00 g/l
ALOGPS
logP
0.38
ChemAxon
IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
ChemAxon
Traditional IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
ChemAxon
Molecular Weight
496.5889
ChemAxon
Monoisotopic Weight
496.28836225
ChemAxon
SMILES
CCCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C23H44O11
ChemAxon
InChI
InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21+,22-,23+/m0/s1
ChemAxon
InChIKey
InChIKey=UYEMNFYVTFDKRG-LGCFCJMNSA-N
ChemAxon
Polar Surface Area (PSA)
178.53
ChemAxon
Refractivity
119.17
ChemAxon
Polarizability
55.04
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
11.94
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936455
PubChem Substance
46508014
ChemSpider
4252753
PDB
UMQ
BE0001440
V-type sodium ATPase subunit K
Enterococcus hirae (strain ATCC 9790 / DSM 20160 / JCM 8729 / LMG 6399 / NBRC 3181 / NCIMB 6459 / NCDO 1258)
# 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
V-type sodium ATPase subunit K
Energy production and conversion
Involved in ATP-driven sodium extrusion
ntpK
Cell membrane; multi-pass membrane protein (Potential)
11-31
60-80
89-109
132-152
7.53
16037.0
Enterococcus hirae (strain ATCC 9790 / DSM 20160 / JCM 8729 / LMG 6399 / NBRC 3181 / NCIMB 6459 / NCDO 1258)
GenBank Gene Database
D16334
GenBank Protein Database
416405
UniProtKB
P43457
UniProt Accession
NTPK_ENTHA
EC 3.6.3.14
Na(+)- translocating ATPase subunit K
Sodium ATPase proteolipid component
>V-type sodium ATP synthase subunit K
MMDYLITQNGGMVFAVLAMATATIFSGIGSAKGVGMTGEAAAALTTSQPEKFGQALILQL
LPGTQGLYGFVIAFLIFINLGSDMSVVQGLNFLGASLPIAFTGLFSGIAQGKVAAAGIQI
LAKKPEHATKGIIFAAMVETYAILGFVISFLLVLNA
>471 bp
ATGATGGATTATTTGATTACTCAAAATGGTGGAATGGTATTTGCAGTATTAGCGATGGCA
ACAGCAACGATTTTTTCAGGAATCGGGTCTGCTAAAGGCGTTGGAATGACTGGGGAAGCG
GCAGCAGCATTGACGACCAGTCAACCAGAAAAATTCGGACAAGCGTTAATTTTACAATTA
CTTCCAGGTACCCAAGGATTATACGGCTTCGTTATCGCCTTCTTGATTTTTATCAACTTA
GGCAGCGATATGTCTGTCGTTCAAGGATTGAACTTCTTAGGAGCTTCCTTACCGATTGCC
TTTACTGGTTTATTCTCAGGGATCGCTCAAGGGAAGGTTGCAGCTGCTGGTATTCAAATT
CTAGCGAAAAAACCTGAGCATGCAACGAAAGGGATCATTTTTGCTGCGATGGTTGAAACA
TATGCCATCTTAGGTTTCGTTATTTCTTTCTTACTGGTCTTAAATGCGTAA
PF00137
ATP-synt_C
component
cell
component
intrinsic to membrane
component
integral to membrane
component
membrane
component
proton-transporting two-sector ATPase complex
function
transporter activity
function
hydrogen-transporting ATPase activity, rotational mechanism
function
hydrogen-transporting ATP synthase activity, rotational mechanism
function
ion transporter activity
function
cation transporter activity
function
monovalent inorganic cation transporter activity
function
hydrogen ion transporter activity
process
cofactor metabolism
process
cellular metabolism
process
coenzyme metabolism
process
ATP synthesis coupled proton transport
process
group transfer coenzyme metabolism
process
nucleoside phosphate metabolism
process
ATP biosynthesis
process
physiological process
process
metabolism
"
|
| 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