Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03690"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide"
|
| 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
5.67
ALOGPS
logS
-7.4
ALOGPS
Water Solubility
3.14e-05 g/l
ALOGPS
logP
9.17
ChemAxon
IUPAC Name
[(2S)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
ChemAxon
Traditional IUPAC Name
(2S)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy(2-(trimethylaminio)ethoxy)phosphinic acid
ChemAxon
Molecular Weight
787.1214
ChemAxon
Monoisotopic Weight
786.601280213
ChemAxon
SMILES
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCCCC
ChemAxon
Molecular Formula
C44H85NO8P
ChemAxon
InChI
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21+/t42-/m0/s1
ChemAxon
InChIKey
InChIKey=SNKAWJBJQDLSFF-OOMOHMHFSA-O
ChemAxon
Polar Surface Area (PSA)
108.36
ChemAxon
Refractivity
237.62
ChemAxon
Polarizability
97.54
ChemAxon
Rotatable Bond Count
42
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
1
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
6540623
PubChem Substance
46507337
PDB
PCW
BE0001505
Phosphatidylinositol transfer protein alpha isoform
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
# 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
Phosphatidylinositol transfer protein alpha isoform
Involved in phosphatidylcholine transmembrane transporter activity
Catalyzes the transfer of PtdIns and phosphatidylcholine between membranes
PITPNA
17p13.3
Cytoplasm
None
6.52
31807.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9001
GenAtlas
PITPNA
GeneCards
PITPNA
GenBank Gene Database
M73704
GenBank Protein Database
189939
UniProtKB
Q00169
UniProt Accession
PIPNA_HUMAN
PI-TP-alpha
PtdIns transfer protein alpha
PtdInsTP
>Phosphatidylinositol transfer protein alpha isoform
MVLLKEYRVILPVSVDEYQVGQLYSVAEASKNETGGGEGVEVLVNEPYEKDGEKGQYTHK
IYHLQSKVPTFVRMLAPEGALNIHEKAWNAYPYCRTVITNEYMKEDFLIKIETWHKPDLG
TQENVHKLEPEAWKHVEAVYIDIADRSQVLSKDYKAEEDPAKFKSIKTGRGPLGPNWKQE
LVNQKDCPYMCAYKLVTVKFKWWGLQNKVENFIHKQERRLFTNFHRQLFCWLDKWVDLTM
DDIRRMEEETKRQLDEMRQKDPVKGMTADD
>813 bp
ATGGTGCTGCTCAAGGAGTATCGAGTAATCCTGCCTGTGTCTGTAGATGAGTATCAAGTG
GGGCAGCTGTATTCTGTGGCTGAGGCCAGTAAAAATGAAACGGGTGGTGGCGAAGGCGTG
GAGGTCCTGGTGAATGAGCCCTACGAGAAGGACGGTGAGAAAGGCCAGTACACACACAAG
ATCTACCACCTGCAGAGCAAAGTACCCACGTTTGTTCGAATGCTGGCCCCAGAGGGAGCC
CTGAATATACACGAGAAAGCCTGGAATGCTTACCCCTACTGCAGAACCGTTATTACAAAT
GAGTACATGAAAGAAGACTTTCTGATTAAAATTGAAACCTGGCACAAACCAGATCTTGGC
ACGCAGGAGAATGTGCATAAGCTGGAGCCTGAGGCGTGGAAACACGTGGAAGCCGTATAT
ATAGACATTGCAGATCGAAGCCAAGTGCTCAGCAAGGATTACAAGGCAGAGGAAGACCCA
GCAAAATTTAAATCTATCAAAACAGGCCGAGGACCCTTGGGCCCCAATTGGAAGCAAGAG
CTTGTAAACCAGAAGGACTGCCCATATATGTGTGCATACAAACTGGTGACCGTCAAGTTC
AAGTGGTGGGGCCTGCAGAACAAAGTGGAGAACTTCATCCATAAGCAAGAGAGGCGTCTG
TTTACAAACTTCCACAGGCAGCTGTTCTGTTGGCTCGATAAGTGGGTTGACCTGACCATG
GACGACATTCGAAGGATGGAAGAAGAGACGAAGAGACAGCTGGATGAAATGAGACAAAAG
GACCCAGTGAAAGGAATGACAGCAGATGACTAA
PF02121
IP_trans
component
cell
component
intracellular
process
physiological process
process
cellular physiological process
process
transport
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object