Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02043"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.
Phosphatidylglycerols
Organic Compounds
Lipids
Glycerophospholipids
Glycerophosphoglycerols
Monosaccharide Phosphates
Fatty Acid Esters
Trioses
Dicarboxylic Acids and Derivatives
Organophosphate Esters
Organic Phosphoric Acids
Carboxylic Acid Esters
1,2-Diols
Secondary Alcohols
Enolates
Ethers
Primary Alcohols
Polyamines
monosaccharide phosphate
fatty acid ester
monosaccharide
dicarboxylic acid derivative
triose monosaccharide
saccharide
organic phosphate
phosphoric acid ester
1,2-diol
carboxylic acid ester
secondary alcohol
ether
enolate
polyamine
carboxylic acid derivative
primary alcohol
alcohol
logP
7.8
ALOGPS
logS
-6.7
ALOGPS
Water Solubility
1.41e-04 g/l
ALOGPS
logP
10.94
ChemAxon
IUPAC Name
[(2S)-2,3-bis(hexadecanoyloxy)propoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid
ChemAxon
Traditional IUPAC Name
(2S)-2,3-bis(hexadecanoyloxy)propoxy(2S)-2,3-dihydroxypropoxyphosphinic acid
ChemAxon
Molecular Weight
722.9699
ChemAxon
Monoisotopic Weight
722.509785132
ChemAxon
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
ChemAxon
Molecular Formula
C38H75O10P
ChemAxon
InChI
InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36-/m0/s1
ChemAxon
InChIKey
InChIKey=BIABMEZBCHDPBV-ZPGRZCPFSA-N
ChemAxon
Polar Surface Area (PSA)
148.82
ChemAxon
Refractivity
195.31
ChemAxon
Polarizability
88.52
ChemAxon
Rotatable Bond Count
40
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.89
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
ChEBI
60724
PubChem Compound
46936292
PubChem Substance
46508792
ChemSpider
58653
PDB
LHG
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
intrinsic to membrane
component
integral to membrane
component
membrane
component
proton-transporting two-sector ATPase complex
component
cell
function
ion transporter activity
function
cation transporter activity
function
monovalent inorganic cation transporter activity
function
hydrogen ion transporter activity
function
transporter activity
function
hydrogen-transporting ATPase activity, rotational mechanism
function
hydrogen-transporting ATP synthase activity, rotational mechanism
process
ATP synthesis coupled proton transport
process
group transfer coenzyme metabolism
process
nucleoside phosphate metabolism
process
ATP biosynthesis
process
physiological process
process
metabolism
process
cofactor metabolism
process
cellular metabolism
process
coenzyme metabolism
"
|
| rdfs:label |
"1,2-Dipalmitoyl-Phosphatidyl-Glycerole"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object