Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02306"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Palmitoyl-Linoleoyl Phosphatidylcholine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.
Phosphatidylcholines
Organic Compounds
Lipids
Glycerophospholipids
Glycerophosphocholines
Other Glycerophosphocholines
Phosphocholines
Fatty Acid Esters
Organophosphate Esters
Dicarboxylic Acids and Derivatives
Organic Phosphoric Acids
Carboxylic Acid Esters
Enolates
Ethers
Polyamines
glycero-3-phosphocholine
phosphocholine
choline
fatty acid ester
dicarboxylic acid derivative
organic phosphate
phosphoric acid ester
carboxylic acid ester
carboxylic acid derivative
ether
polyamine
enolate
amine
organonitrogen compound
logP
5.48
ALOGPS
logS
-7.5
ALOGPS
Water Solubility
2.53e-05 g/l
ALOGPS
logP
8.28
ChemAxon
IUPAC Name
(2-{[(S)-((2S)-3-(hexadecanoyloxy)-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimethylazanium
ChemAxon
Traditional IUPAC Name
(2-{[(S)-((2S)-3-(hexadecanoyloxy)-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimethylazanium
ChemAxon
Molecular Weight
758.0603
ChemAxon
Monoisotopic Weight
757.562155053
ChemAxon
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC
ChemAxon
Molecular Formula
C42H80NO8P
ChemAxon
InChI
InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m0/s1
ChemAxon
InChIKey
InChIKey=JLPULHDHAOZNQI-GSZNELEDSA-N
ChemAxon
Polar Surface Area (PSA)
111.19
ChemAxon
Refractivity
227.3
ChemAxon
Polarizability
94.29
ChemAxon
Rotatable Bond Count
40
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
1.86
ChemAxon
pKa (strongest basic)
-6.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936342
PubChem Substance
46507296
ChemSpider
109001
PDB
CPL
BE0000935
Phosphatidylcholine transfer protein
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
Phosphatidylcholine transfer protein
Involved in phosphatidylcholine transmembrane transporter activity
Catalyzes the transfer of phosphatidylcholine between membranes
PCTP
17q21-q24
Cytoplasm
None
5.44
24844.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:8752
GenAtlas
PCTP
GeneCards
PCTP
GenBank Gene Database
AF151638
GenBank Protein Database
6049276
UniProtKB
Q9UKL6
UniProt Accession
PPCT_HUMAN
PC-TP
StAR-related lipid transfer protein 2
StARD2
START domain-containing protein 2
>Phosphatidylcholine transfer protein
MELAAGSFSEEQFWEACAELQQPALAGADWQLLVETSGISIYRLLDKKTGLYEYKVFGVL
EDCSPTLLADIYMDSDYRKQWDQYVKELYEQECNGETVVYWEVKYPFPMSNRDYVYLRQR
RDLDMEGRKIHVILARSTSMPQLGERSGVIRVKQYKQSLAIESDGKKGSKVFMYYFDNPG
GQIPSWLINWAAKNGVPNFLKDMARACQNYLKKT
>645 bp
ATGGAGCTGGCCGCCGGAAGCTTCTCGGAGGAGCAGTTCTGGGAGGCCTGCGCCGAGCTC
CAGCAGCCCGCTCTGGCCGGGGCCGACTGGCAGCTCCTAGTGGAGACCTCGGGCATCAGC
ATCTACCGGCTGCTGGACAAGAAGACTGGACTTTATGAGTATAAAGTCTTTGGTGTTCTG
GAGGACTGCTCACCAACTCTACTGGCAGACATCTATATGGACTCAGATTACAGAAAACAA
TGGGACCAGTATGTTAAAGAACTCTATGAACAAGAATGCAACGGAGAGACTGTGGTCTAC
TGGGAAGTGAAGTACCCTTTTCCCATGTCCAACAGAGACTATGTCTACCTTCGGCAGCGG
CGAGACCTGGACATGGAAGGGAGGAAGATCCATGTGATCCTGGCCCGGAGCACCTCCATG
CCTCAGCTTGGCGAGAGGTCTGGGGTGATCCGGGTGAAGCAATACAAGCAGAGCCTGGCG
ATTGAGAGTGACGGCAAGAAGGGGAGCAAAGTTTTCATGTATTACTTCGATAACCCGGGT
GGCCAAATTCCGTCCTGGCTCATTAACTGGGCCGCCAAGAATGGAGTTCCTAACTTCTTG
AAAGACATGGCAAGAGCCTGTCAGAACTACCTCAAGAAAACCTAA
PF01852
START
"
|
| 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