Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01709"

Predicate	Value (sorted: default)
rdfs:label	"2-Phosphoglyceric Acid"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. Sugar Acids and Derivatives Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Sugar Acids and Derivatives Beta Hydroxy Acids and Derivatives Organic Phosphoric Acids Organophosphate Esters Enolates Polyamines Carboxylic Acids Primary Alcohols hydroxy acid organic phosphate phosphoric acid ester polyamine primary alcohol enolate carboxylic acid carboxylic acid derivative alcohol logP -2.2 ALOGPS logS -0.96 ALOGPS Water Solubility 2.03e+01 g/l ALOGPS logP -1.6 ChemAxon IUPAC Name (2R)-3-hydroxy-2-(phosphonooxy)propanoic acid ChemAxon Traditional IUPAC Name 2-phosphoglyceric acid ChemAxon Molecular Weight 186.0572 ChemAxon Monoisotopic Weight 185.99293909 ChemAxon SMILES OC[C@@H](OP(O)(O)=O)C(O)=O ChemAxon Molecular Formula C3H7O7P ChemAxon InChI InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 ChemAxon InChIKey InChIKey=GXIURPTVHJPJLF-UWTATZPHSA-N ChemAxon Polar Surface Area (PSA) 124.29 ChemAxon Refractivity 31.26 ChemAxon Polarizability 13.36 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 0.81 ChemAxon pKa (strongest basic) -3.1 ChemAxon Physiological Charge -3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 24344 PubChem Compound 439278 PubChem Substance 46506872 ChemSpider 58 PDB 2PG SMP00560 Phosphoenolpyruvate carboxykinase deficiency 1 (PEPCK1) DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 SMP00562 Fructose-1,6-diphosphatase deficiency DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 SMP00374 Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 SMP00572 Fanconi-bickel syndrome DB00119 Pyruvic acid DB01345 Potassium DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P52789 Q96C23 P06744 P08237 P04075 P60174 P35575 P04406 P07738 Q8TE04 P18669 P15259 P06733 P30613 SMP00531 Glycogenosis, Type VII. Tarui disease DB00119 Pyruvic acid DB01345 Potassium DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P52789 Q96C23 P06744 P08237 P04075 P60174 P35575 P04406 P07738 Q8TE04 P18669 P15259 P06733 P30613 SMP00581 Glycogenosis, Type IA. Von gierke disease DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 SMP00654 Warburg Effect DB00119 Pyruvic acid DB00121 Biotin DB00130 L-Glutamine DB00139 Succinic acid DB00142 L-Glutamic Acid DB01345 Potassium DB01677 Fumarate DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04272 Citric Acid DB04326 1,3-Dihydroxyacetonephosphate P11168 P52789 P06744 P17858 P05062 P04406 P00558 P15259 P06733 P30613 Q9Y5U8 P11498 P08559 P11177 P10515 P09622 O75390 Q6ZMR3 P53985 Q99798 P50213 O43837 P51553 Q02218 P36957 P53597 Q96I99 P31040 P21912 Q99643 O14521 P07954 P40925 P00367 Q9UI32 Q15758 P37837 P29401 P49247 O95336 P11413 P52209 Q6LAP8 P21399 O75874 P14618 SMP00128 Gluconeogenesis DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 SMP00574 Glycogenosis, Type IC DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 SMP00573 Glycogenosis, Type IB DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 SMP00040 Glycolysis DB00119 Pyruvic acid DB01345 Potassium DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P52789 Q96C23 P06744 P08237 P04075 P60174 P35575 P04406 P07738 Q8TE04 P18669 P15259 P06733 P30613 SMP00563 Triosephosphate isomerase DB00119 Pyruvic acid DB00121 Biotin DB01709 2-Phosphoglyceric Acid DB01819 Phosphoenolpyruvate DB02263 Glyceraldehyde-3-Phosphate DB04326 1,3-Dihydroxyacetonephosphate P11168 P35575 O43826 P36871 P06744 P52789 Q96C23 P09467 P04075 P60174 P04406 Q8TE04 P15259 P06733 P07738 P18669 P35558 P40926 Q02978 P11498 Q9Y5U8 Q6ZMR3 BE0001253 2-dehydro-3-deoxyphosphooctonate aldolase Aquifex aeolicus (strain VF5) # 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 2-dehydro-3-deoxyphosphooctonate aldolase Cell wall/membrane/envelope biogenesis Phosphoenolpyruvate + D-arabinose 5-phosphate + H(2)O = 2-dehydro-3-deoxy-D-octonate 8-phosphate + phosphate kdsA Cytoplasm None 6.68 29735.0 Aquifex aeolicus (strain VF5) GenBank Gene Database AE000657 GenBank Protein Database 2982835 UniProtKB O66496 UniProt Accession KDSA_AQUAE 3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase EC 2.5.1.55 KDO 8-P synthase KDO-8-phosphate synthetase KDOPS Phospho-2- dehydro-3-deoxyoctonate aldolase >2-dehydro-3-deoxyphosphooctonate aldolase MEKFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGL EYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRA VNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLTERGTTFGYNNLVVDFRSLPIMKQWAKVI YDATHSVQLPGGLGDKSGGMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPL SQLEGIIEAILEIREVASKYYETIPVK >804 bp ATGGAAAAGTTTTTAGTGATAGCTGGACCCTGCGCGATAGAGAGCGAGGAACTTCTCCTA AAGGTAGGGGAGGAGATAAAGCGTTTATCGGAGAAGTTCAAAGAAGTTGAGTTCGTATTT AAGTCTTCCTTTGATAAAGCGAACCGCTCCTCAATACATTCCTTCAGGGGGCACGGTCTT GAATACGGGGTAAAGGCTCTGAGGAAGGTAAAGGAAGAGTTCGGACTGAAGATTACCACG GATATTCACGAGAGCTGGCAAGCTGAACCAGTTGCAGAAGTTGCGGACATAATCCAGATA CCTGCCTTTTTATGCAGGCAGACTGACCTCCTCCTTGCGGCTGCAAAAACGGGAAGGGCT GTAAACGTGAAGAAGGGTCAGTTTTTAGCCCCTTGGGACACGAAGAACGTGGTTGAAAAA TTAAAGTTCGGCGGTGCTAAGGAGATATACCTCACGGAGAGAGGAACTACCTTCGGATAC AACAACCTCGTTGTAGATTTCAGGAGCCTACCCATAATGAAACAGTGGGCAAAGGTTATA TACGACGCCACCCACAGCGTCCAGCTCCCCGGAGGTCTCGGGGACAAATCAGGAGGAATG AGGGAGTTTATATTCCCCTTAATCCGTGCTGCGGTTGCGGTAGGTTGTGACGGTGTGTTT ATGGAAACACACCCAGAACCAGAAAAGGCACTCTCGGACGCATCAACTCAGCTTCCCCTC TCCCAGCTGGAAGGGATAATAGAGGCTATCCTTGAGATAAGGGAAGTGGCTTCAAAGTAT TACGAAACAATTCCCGTTAAATGA PF00793 DAHP_synth_1 component cell component intracellular component cytoplasm function transferase activity function transferase activity, transferring alkyl or aryl (other than methyl) groups function 3-deoxy-8-phosphooctulonate synthase activity function catalytic activity process metabolism process biosynthesis process physiological process BE0001227 2,3-bisphosphoglycerate-independent phosphoglycerate mutase Geobacillus stearothermophilus # 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 2,3-bisphosphoglycerate-independent phosphoglycerate mutase Carbohydrate transport and metabolism Catalyzes the interconversion of 2-phosphoglycerate and 3-phosphoglycerate gpmI None 6.39 57004.0 Geobacillus stearothermophilus GenBank Gene Database AF120091 GenBank Protein Database 4589058 UniProtKB Q9X519 UniProt Accession GPMI_GEOSE BPG-independent PGAM EC 5.4.2.1 iPGM Phosphoglyceromutase >2,3-bisphosphoglycerate-independent phosphoglycerate mutase MSKKPVALIILDGFALRDETYGNAVAQANKPNFDRYWNEYPHTTLKACGEAVGLPEGQMG NSEVGHLNIGAGRIVYQSLTRINIAIREGEFDRNETFLAAMNHVKQHGTSLHLFGLLSDG GVHSHIHHLYALLRLAAKEGVKRVYIHGFLDGRDVGPQTAPQYIKELQEKIKEYGVGEIA TLSGRYYSMDRDKRWDRVEKAYRAMVYGEGPTYRDPLECIEDSYKHGIYDEFVLPSVIVR EDGRPVATIQDNDAIIFYNFRPDRAIQISNTFTNEDFREFDRGPKHPKHLFFVCLTHFSE TVKGYVAFKPTNLDNTIGEVLSQHGLRQLRIAETEKYPHVTFFMSGGREEKFPGEDRILI NSPKVPTYDLKPEMSAYEVTDALLKEIEADKYDAIILNYANPDMVGHSGKLEPTIKAVEA VDECLGKVVDAILAKGGIAIITADHGNADEVLTPDGKPQTAHTTNPVPVIVTKKGIKLRD GGILGDLAPTMLDLLGLPQPKEMTGKSLIVK >1536 bp ATGAGTAAAAAACCGGTTGCGCTCATCATTTTAGACGGATTTGCGCTGCGCGACGAAACG TACGGCAATGCGGTCGCTCAGGCGAACAAACCGAACTTTGACCGCTATTGGAACGAATAC CCGCACACAACGCTCAAGGCGTGCGGCGAGGCGGTCGGGCTTCCGGAAGGGCAGATGGGC AACTCGGAAGTCGGCCATCTCAACATCGGCGCCGGGCGCATTGTGTACCAAAGCTTAACG CGAATCAACATTGCCATTCGCGAAGGCGAGTTTGACCGAAATGAAACGTTTTTGGCGGCG ATGAACCATGTGAAACAACACGGGACAAGTTTGCATTTGTTCGGCTTGCTTTCCGACGGC GGGGTGCACAGCCATATTCACCATTTGTACGCCCTCTTGCGCTTGGCGGCGAAAGAAGGC GTGAAGCGCGTGTACATCCACGGCTTTTTGGACGGCCGCGACGTCGGCCCACAAACAGCG CCGCAATACATTAAAGAACTGCAGGAAAAAATCAAGGAATATGGCGTCGGCGAAATCGCG ACGTTATCGGGCCGCTACTACTCGATGGACCGCGACAAGCGGTGGGACCGCGTCGAAAAG GCGTATCGGGCGATGGTGTACGGGGAAGGGCCGACGTACCGCGATCCGCTCGAGTGCATC GAGGACTCGTACAAACACGGCATTTACGACGAATTCGTCCTGCCGTCGGTCATCGTCCGC GAAGACGGCCGGCCGGTGGCGACGATTCAAGACAATGACGCGATTATCTTCTATAATTTC CGCCCTGACCGGGCGATCCAAATTTCAAACACGTTTACGAACGAAGATTTCCGCGAGTTT GACCGCGGCCCGAAACATCCGAAGCATTTGTTCTTTGTCTGCTTGACCCATTTCAGCGAA ACGGTGAAAGGGTACGTGGCGTTCAAGCCGACGAACTTGGACAACACGATCGGGGAAGTG CTGTCGCAGCACGGACTGCGCCAGCTGCGCATCGCCGAGACCGAAAAATATCCGCACGTG ACGTTTTTTATGAGCGGCGGCCGCGAAGAGAAATTTCCAGGCGAAGACCGGATTTTGATC AACTCGCCGAAAGTGCCGACGTATGACTTGAAGCCGGAAATGAGCGCCTATGAAGTGACC GATGCGCTGCTCAAGGAAATTGAAGCCGATAAGTACGATGCGATCATTTTGAACTACGCC AACCCGGATATGGTCGGCCATTCGGGCAAGCTCGAACCGACGATCAAGGCGGTGGAGGCA GTGGACGAATGCCTCGGCAAAGTCGTCGATGCCATTTTGGCCAAAGGCGGCATCGCCATC ATCACCGCCGACCACGGCAACGCCGATGAAGTATTGACGCCGGACGGCAAGCCGCAAACG GCTCATACGACGAATCCGGTGCCGGTCATCGTGACGAAAAAAGGCATCAAGCTTAGAGAC GGCGGCATCTTAGGCGATTTGGCGCCGACGATGCTCGATTTGCTCGGCTTGCCGCAGCCG AAAGAAATGACGGGGAAATCGTTGATTGTCAAATAA PF06415 iPGM_N PF01676 Metalloenzyme component cell component intracellular component cytoplasm function catalytic activity function ion binding function cation binding function intramolecular transferase activity function transition metal ion binding function metal ion binding function manganese ion binding function intramolecular transferase activity, phosphotransferases function phosphoglycerate mutase activity function binding function isomerase activity process alcohol metabolism process monosaccharide metabolism process metabolism process hexose metabolism process cellular metabolism process glucose metabolism process glucose catabolism process physiological process BE0001256 Triosephosphate isomerase Plasmodium falciparum # 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 Triosephosphate isomerase Carbohydrate transport and metabolism D-glyceraldehyde 3-phosphate = glycerone phosphate TPI None 6.37 27935.0 Plasmodium falciparum GenBank Gene Database L01654 GenBank Protein Database 160706 UniProtKB Q07412 UniProt Accession TPIS_PLAFA EC 5.3.1.1 TIM Triose-phosphate isomerase >Triosephosphate isomerase MARKYFVAANWKCNGTLESIKSLTNSFNNLDFDPSKLDVVVFPVSVHYDHTRKLLQSKFS TGIQNVSKFGNGSYTGEVSAEIAKDLNIEYVIIGHFERRKYFHETDEDVREKLQASLKNN LKAVVCFGESLEQREQNKTIEVITKQVKAFVDLIDNFDNVILAYEPLWAIGTGKTATPEQ AQLVHKEIRKIVKDTCGEKQANQIRILYGGSVNTENCSSLIQQEDIDGFLVGNASLKESF VDIIKSAM >747 bp ATGGCTAGAAAATATTTTGTCGCAGCAAACTGGAAATGTAATGGAACTTTAGAAAGTATT AAATCTTTAACAAACAGTTTTAACAATTTGGATTTTGATCCAAGCAAATTAGACGTTGTT GTTTTTCCTGTTTCCGTACATTATGATCATACAAGGAAATTACTTCAGAGTAAGTTTTCT ACTGGTATTCAGAATGTATCAAAATTCGGAAATGGATCATACACAGGTGAAGTAAGTGCA GAAATTGCCAAGGATTTAAATATTGAATATGTTATTATTGGTCATTTTGAAAGAAGAAAA TATTTCCATGAAACCGATGAAGATGTTCGTGAAAAATTACAAGCTTCATTAAAAAATAAT TTAAAAGCCGTTGTATGTTTTGGTGAATCTTTAGAACAAAGAGAACAAAATAAAACTATC GAAGTTATTACAAAACAAGTTAAAGCATTTGTTGATTTAATTGATAATTTTGATAATGTT ATTTTGGCTTATGAACCTTTATGGGCTATTGGTACTGGTAAAACAGCTACACCTGAACAA GCTCAATTAGTACACAAAGAAATCAGAAAAATTGTAAAAGATACATGCGGAGAAAAACAA GCTAACCAAATAAGAATATTATATGGAGGTAGTGTTAATACTGAAAACTGCTCTTCATTA ATTCAACAAGAAGATATTGATGGTTTCTTAGTTGGAAATGCTTCCTTAAAAGAATCTTTT GTTGATATAATAAAAAGTGCTATGTAA PF00121 TIM function triose-phosphate isomerase activity function catalytic activity function isomerase activity function intramolecular oxidoreductase activity function intramolecular oxidoreductase activity, interconverting aldoses and ketoses process physiological process process metabolism "
owl:sameAs	drug:Pyruvic acid drug:Biotin drug:L-Glutamine drug:Succinic acid drug:L-Glutamic Acid drug:Potassium drug:Fumarate drug:2-Phosphoglyceric Acid drug:Phosphoenolpyruvate drug:Glyceraldehyde-3-Phosphate drug:Citric Acid drug:1,3-Dihydroxyacetonephosphate drug:EXPT00143

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt

The resource appears as object in 12 triples

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