Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02496"

Predicate	Value (sorted: none)
owl:sameAs	?:EXPT01308
ns1:description	" experimental This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Pentose Phosphates Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Monosaccharides Acyloins Organic Phosphoric Acids Organophosphate Esters Ketones 1,2-Diols Secondary Alcohols Polyamines Enolates Aldehydes acyloin organic phosphate phosphoric acid ester secondary alcohol ketone 1,2-diol enolate polyamine carbonyl group aldehyde alcohol logP -1.9 ALOGPS logS -0.89 ALOGPS Water Solubility 2.76e+01 g/l ALOGPS logP -1.9 ChemAxon IUPAC Name {[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid ChemAxon Traditional IUPAC Name [(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxyphosphonic acid ChemAxon Molecular Weight 214.1104 ChemAxon Monoisotopic Weight 214.024239218 ChemAxon SMILES CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O ChemAxon Molecular Formula C5H11O7P ChemAxon InChI InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1 ChemAxon InChIKey InChIKey=AJPADPZSRRUGHI-RFZPGFLSSA-N ChemAxon Polar Surface Area (PSA) 124.29 ChemAxon Refractivity 40.77 ChemAxon Polarizability 17.18 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 1.48 ChemAxon pKa (strongest basic) -3.6 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 16493 PubChem Compound 443201 PubChem Substance 46506007 KEGG Compound C11437 ChemSpider 621 PDB DXP BE0001575 1-deoxy-D-xylulose 5-phosphate reductoisomerase Escherichia coli (strain K12) # 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 1-deoxy-D-xylulose 5-phosphate reductoisomerase Lipid transport and metabolism Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP) dxr None 5.88 43389.0 Escherichia coli (strain K12) GenBank Gene Database AB013300 GenBank Protein Database 3434984 UniProtKB P45568 UniProt Accession DXR_ECOLI 1-deoxyxylulose-5-phosphate reductoisomerase 2-C- methyl-D-erythritol 4-phosphate synthase DXP reductoisomerase EC 1.1.1.267 >1-deoxy-D-xylulose 5-phosphate reductoisomerase MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEA SAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTI LLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVS ILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFN ASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFC KLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALN LSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS >1197 bp ATGAAGCAACTCACCATTCTGGGCTCGACCGGCTCGATTGGTTGCAGCACGCTGGACGTG GTGCGCCATAATCCCGAACACTTCCGCGTAGTTGCGCTGGTGGCAGGCAAAAATGTCACT CGCATGGTAGAACAGTGCCTGGAATTCTCTCCCCGCTATGCCGTAATGGACGATGAAGCG AGTGCGAAACTTCTTAAAACGATGCTACAGCAACAGGGTAGCCGCACCGAAGTCTTAAGT GGGCAACAAGCCGCTTGCGATATGGCAGCGCTTGAGGATGTTGATCAGGTGATGGCAGCC ATTGTTGGCGCTGCTGGGCTGTTACCTACGCTTGCTGCGATCCGCGCGGGTAAAACCATT TTGCTGGCCAATAAAGAATCACTGGTTACCTGCGGACGTCTGTTTATGGACGCCGTAAAG CAGAGCAAAGCGCAATTGTTACCGGTCGATAGCGAACATAACGCCATTTTTCAGAGTTTA CCGCAACCTATCCAGCATAATCTGGGATACGCTGACCTTGAGCAAAATGGCGTGGTGTCC ATTTTACTTACCGGGTCTGGTGGCCCTTTCCGTGAGACGCCATTGCGCGATTTGGCAACA ATGACGCCGGATCAAGCCTGCCGTCATCCGAACTGGTCGATGGGGCGTAAAATTTCTGTC GATTCGGCTACCATGATGAACAAAGGTCTGGAATACATTGAAGCGCGTTGGCTGTTTAAC GCCAGCGCCAGCCAGATGGAAGTGCTGATTCACCCGCAGTCAGTGATTCACTCAATGGTG CGCTATCAGGACGGCAGTGTTCTGGCGCAGCTGGGGGAACCGGATATGCGTACGCCAATT GCCCACACCATGGCATGGCCGAATCGCGTGAACTCTGGCGTGAAGCCGCTCGATTTTTGC AAACTAAGTGCGTTGACATTTGCCGCACCGGATTATGATCGTTATCCATGCCTGAAACTG GCGATGGAGGCGTTCGAACAAGGCCAGGCAGCGACGACAGCATTGAATGCCGCAAACGAA ATCACCGTTGCTGCTTTTCTTGCGCAACAAATCCGCTTTACGGATATCGCTGCGTTGAAT TTATCCGTACTGGAAAAAATGGATATGCGCGAACCACAATGTGTGGACGATGTGTTATCT GTTGATGCGAACGCGCGTGAAGTCGCCAGAAAAGAGGTGATGCGTCTCGCAAGCTGA PF08436 DXP_redisom_C PF02670 DXP_reductoisom function catalytic activity process cellular lipid metabolism process isoprenoid metabolism process isoprenoid biosynthesis process physiological process process metabolism process primary metabolism process lipid metabolism BE0001540 Pyridoxine 5'-phosphate synthase Escherichia coli (strain K12) # 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 Pyridoxine 5'-phosphate synthase Coenzyme transport and metabolism Catalyzes the complicated ring closure reaction between the two acyclic compounds 1-deoxy-D-xylulose-5-phosphate (DXP) and 3-amino-2-oxopropyl phosphate (1-amino-acetone-3-phosphate or AAP) to form pyridoxine 5'-phosphate (PNP) and inorganic phosphate pdxJ Cytoplasm None 5.82 26385.0 Escherichia coli (strain K12) GenBank Gene Database M76470 GenBank Protein Database 147555 UniProtKB P0A794 UniProt Accession PDXJ_ECOLI EC 2.6.99.2 PNP synthase >Pyridoxine 5'-phosphate synthase MAELLLGVNIDHIATLRNARGTAYPDPVQAAFIAEQAGADGITVHLREDRRHITDRDVRI LRQTLDTRMNLEMAVTEEMLAIAVETKPHFCCLVPEKRQEVTTEGGLDVAGQRDKMRDAC KRLADAGIQVSLFIDADEEQIKAAAEVGAPFIEIHTGCYADAKTDAEQAQELARIAKAAT FAASLGLKVNAGHGLTYHNVKAIAAIPEMHELNIGHAIIGRAVMTGLKDAVAEMKRLMLE ARG >732 bp ATGGCTGAATTACTGTTAGGCGTCAACATTGACCATATCGCTACGCTGCGCAACGCGCGC GGTACCGCTTACCCGGATCCGGTGCAGGCCGCGTTTATTGCCGAGCAGGCGGGAGCGGAC GGCATTACCGTGCATTTACGTGAAGATCGCCGTCACATTACTGACCGCGACGTGCGCATC CTGCGTCAGACGCTGGATACCCGCATGAATCTGGAGATGGCGGTGACCGAAGAGATGCTG GCGATCGCCGTTGAGACGAAGCCACATTTTTGCTGCCTGGTACCGGAAAAGCGTCAGGAA GTAACAACCGAAGGCGGCCTGGATGTCGCAGGGCAGCGTGACAAAATGCGCGATGCCTGC AAACGTCTGGCAGATGCCGGGATTCAGGTTTCTCTGTTTATTGACGCCGATGAAGAGCAG ATCAAAGCTGCGGCAGAGGTTGGCGCACCGTTTATCGAGATCCACACCGGTTGCTATGCT GATGCCAAAACTGACGCCGAACAGGCGCAAGAGCTGGCGCGTATCGCCAAAGCCGCGACC TTTGCCGCAAGCCTCGGTCTGAAAGTTAACGCCGGACACGGTCTGACCTATCACAACGTG AAAGCCATTGCCGCCATCCCTGAGATGCATGAACTGAATATCGGTCATGCCATTATTGGT CGTGCAGTGATGACCGGACTGAAAGATGCGGTGGCAGAAATGAAGCGTCTGATGCTGGAA GCGCGTGGCTAA PF03740 PdxJ component cytoplasm component cell component intracellular process vitamin metabolism process water-soluble vitamin metabolism process vitamin B6 metabolism process pyridoxine metabolism process pyridoxine biosynthesis process physiological process process metabolism process cellular metabolism "
rdf:type	ns1:drugs
rdfs:label	"1-Deoxy-D-Xylulose-5-Phosphate"

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

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