Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02144"

Predicate	Value (sorted: none)
owl:sameAs	?:EXPT02597
ns1:description	" experimental This compound belongs to the phosphatidylinositols. These are glycerophosphoinositols where the glycerol is esterified with two fatty acids. Phosphatidylinositols Organic Compounds Lipids Glycerophospholipids Glycerophosphoinositols Inositol Phosphates Cyclohexanols Fatty Acid Esters Dicarboxylic Acids and Derivatives Organic Phosphoric Acids Organophosphate Esters Carboxylic Acid Esters 1,2-Diols Ethers Enolates Polyamines inositol phosphate cyclitol derivative fatty acid ester cyclohexanol organic phosphate phosphoric acid ester dicarboxylic acid derivative cyclic alcohol secondary alcohol polyol carboxylic acid ester 1,2-diol ether polyamine enolate carboxylic acid derivative alcohol logP 7.33 ALOGPS logS -6 ALOGPS Water Solubility 8.01e-04 g/l ALOGPS logP 9.52 ChemAxon IUPAC Name (2S)-1-(hexadecanoyloxy)-3-{[(S)-((1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphonato)]oxy}propan-2-yl (9E)-octadec-9-enoate ChemAxon Traditional IUPAC Name (2S)-1-(hexadecanoyloxy)-3-{[(S)-((1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphonato)]oxy}propan-2-yl (9E)-octadec-9-enoate ChemAxon Molecular Weight 836.0613 ChemAxon Monoisotopic Weight 835.533654158 ChemAxon SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C\CCCCCCCC ChemAxon Molecular Formula C43H80O13P ChemAxon InChI InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/p-1/b18-17+/t35-,38-,39-,40+,41+,42-,43-/m0/s1 ChemAxon InChIKey InChIKey=PDLAMJKMOKWLAJ-KGUAWZMVSA-M ChemAxon Polar Surface Area (PSA) 212.34 ChemAxon Refractivity 219.76 ChemAxon Polarizability 98.83 ChemAxon Rotatable Bond Count 39 ChemAxon H Bond Acceptor Count 9 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 1.83 ChemAxon pKa (strongest basic) -3.6 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 0 ChemAxon ChEBI 28874 PubChem Compound 46936309 PubChem Substance 46506660 ChemSpider 16744154 PDB PIE 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 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 transport process physiological process process cellular physiological process "
rdfs:label	"1,2-Diacyl-Sn-Glycero-3-Phosphoinositol"
rdf:type	ns1:drugs

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt

The resource does not appear as an object

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