Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02637"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Dicarboxylic Acids and Derivatives Beta Keto-Acids and Derivatives Alpha Keto-Acids and Derivatives Ketones Enolates Carboxylic Acids Polyamines Carboxylic Acid Salts Keto Acids and Derivatives ketone enolate polyamine carboxylic acid carboxylic acid salt carbonyl group logP -0.53 ALOGPS logS -0.44 ALOGPS Water Solubility 5.42e+01 g/l ALOGPS logP -0.042 ChemAxon IUPAC Name 3-carboxy-3-oxopropanoate ChemAxon Traditional IUPAC Name oxaloacetate ion ChemAxon Molecular Weight 131.0636 ChemAxon Monoisotopic Weight 130.998048206 ChemAxon SMILES OC(=O)C(=O)CC([O-])=O ChemAxon Molecular Formula C4H3O5 ChemAxon InChI InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1 ChemAxon InChIKey InChIKey=KHPXUQMNIQBQEV-UHFFFAOYSA-M ChemAxon Polar Surface Area (PSA) 94.5 ChemAxon Refractivity 35.17 ChemAxon Polarizability 9.68 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 2.41 ChemAxon pKa (strongest basic) -9.9 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 3260017 PubChem Substance 46508157 ChemSpider 2509917 PDB OAA BE0004459 Citrate synthase, mitochondrial 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 Citrate synthase, mitochondrial CS Human UniProtKB O75390 UniProt Accession CISY_HUMAN BE0001891 Malate dehydrogenase Aquaspirillum arcticum # 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 Malate dehydrogenase Energy production and conversion Catalyzes the reversible oxidation of malate to oxaloacetate mdh None 6.25 35252.0 Aquaspirillum arcticum GenBank Gene Database AF109682 GenBank Protein Database 4235484 UniProtKB Q9ZF99 UniProt Accession MDH_AQUAR EC 1.1.1.37 >Malate dehydrogenase MAKTPMRVAVTGAAGQICYSLLFRIANGDMLGKDQPVILQLLEIPNEKAQKALQGVMMEI DDCAFPLLAGMTAHADPMTAFKDADVALLVGARPRGPGMERKDLLEANAQIFTVQGKAID AVASRNIKVLVVGNPANTNAYIAMKSAPSLPAKNFTAMLRLDHNRALSQIAAKTGKPVSS IEKLFVWGNHSPTMYADYRYAQIDGASVKDMINDDAWNRDTFLPTVGKRGAAIIDARGVS SAASAANAAIDHIHDWVLGTAGKWTTMGIPSDGSYGIPEGVIFGFPVTTENGEYKIVQGL SIDAFSQERINVTLNELLEEQNGVQHLLG >990 bp ATGGCTAAAACCCCAATGCGTGTTGCTGTTACCGGCGCCGCCGGTCAGATTTGCTACTCA CTGCTGTTTCGCATCGCCAACGGCGACATGCTCGGCAAGGATCAGCCAGTCATCTTGCAA CTGCTTGAAATCCCGAACGAAAAAGCCCAGAAGGCCCTGCAAGGCGTGATGATGGAAATC GACGATTGCGCCTTCCCTCTGCTGGCCGGCATGACCGCGCACGCTGATCCGATGACCGCA TTCAAGGATGCCGACGTCGCCTTGCTGGTCGGCGCGCGTCCACGCGGCCCCGGCATGGAG CGCAAGGATTTGCTGGAAGCCAATGCACAGATCTTCACGGTGCAAGGCAAGGCCATCGAT GCCGTCGCGTCGCGCAACATCAAGGTGCTCGTGGTCGGCAATCCGGCCAACACCAACGCC TATATCGCGATGAAATCGGCGCCTTCGCTGCCGGCCAAGAATTTCACCGCAATGCTGCGC CTGGATCACAACCGCGCCTTGTCGCAAATTGCTGCCAAGACCGGCAAACCGGTATCGTCG ATCGAAAAACTGTTCGTCTGGGGCAATCACTCGCCAACGATGTATGCCGACTACCGCTAC GCGCAAATCGACGGCGCATCGGTCAAGGACATGATCAATGACGACGCATGGAACCGCGAC ACGTTCTTGCCTACCGTGGGCAAGCGCGGCGCAGCCATCATCGATGCGCGCGGTGTATCG TCGGCTGCCTCGGCTGCCAATGCGGCCATCGATCACATCCATGACTGGGTGCTGGGCACG GCAGGCAAATGGACCACGATGGGCATCCCGTCCGATGGTTCGTATGGCATTCCGGAAGGG GTGATCTTCGGCTTCCCGGTCACGACCGAAAACGGCGAATACAAGATCGTCCAAGGCTTG AGCATTGACGCTTTCTCGCAAGAACGCATCAATGTCACACTGAACGAATTGCTGGAAGAG CAGAACGGCGTCCAGCATCTGCTGGGCTAA PF02866 Ldh_1_C PF00056 Ldh_1_N function oxidoreductase activity function malate dehydrogenase activity function oxidoreductase activity, acting on CH-OH group of donors function lactate dehydrogenase activity function L-lactate dehydrogenase activity function catalytic activity process metabolism process glucose catabolism process cellular metabolism process glycolysis process generation of precursor metabolites and energy process malate metabolism process tricarboxylic acid cycle intermediate metabolism process energy derivation by oxidation of organic compounds process main pathways of carbohydrate metabolism process alcohol metabolism process monosaccharide metabolism process physiological process process hexose metabolism process glucose metabolism BE0000909 Sepiapterin reductase 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 Sepiapterin reductase Lipid transport and metabolism Catalyzes the final one or two reductions in tetra- hydrobiopterin biosynthesis to form 5,6,7,8-tetrahydrobiopterin SPR 2p14-p12 Cytoplasm None 8.19 28049.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:11257 GenAtlas SPR GeneCards SPR GenBank Gene Database M76231 GenBank Protein Database 338021 UniProtKB P35270 UniProt Accession SPRE_HUMAN EC 1.1.1.153 SPR >Sepiapterin reductase MEGGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSARNDEALRQLEAELGAERSG LRVVRVPADLGAEAGLQQLLGALRELPRPKGLQRLLLINNAGSLGDVSKGFVDLSDSTQV NNYWALNLTSMLCLTSSVLKAFPDSPGLNRTVVNISSLCALQPFKGWALYCAGKAARDML FQVLALEEPNVRVLNYAPGPLDTDMQQLARETSVDPDMRKGLQELKAKGKLVDCKVSAQK LLSLLEKDEFKSGAHVDFYDK >786 bp ATGGAGGGCGGGCTGGGGCGTGCTGTGTGCTTGCTGACCGGGGCCTCCCGCGGCTTCGGC CGGACGCTGGCCCCGCTCCTGGCCTCGCTGCTGTCGCCCGGCTCCGTGCTTGTCCTTAGC GCCCGCAACGACGAGGCACTGCGCCAGCTGGAGGCCGAGCTGGGCGCCGAGCGGTCTGGC CTGCGCGTGGTGCGGGTGCCCGCCGACCTGGGCGCCGAGGCCGGCTTGCAGCAGCTGCTC GGCGCCCTGCGCGAGCTCCCCCGGCCCAAGGGGCTGCAGCGACTGCTGCTTATCAACAAC GCGGGCTCTCTTGGGGATGTGTCCAAAGGCTTCGTGGACCTGAGTGACTCCACTCAAGTG AACAACTACTGGGCACTGAACTTGACCTCCATGCTCTGCCTGACTTCCAGCGTCCTGAAG GCCTTCCCGGACAGTCCTGGCCTCAACAGAACCGTGGTTAACATCTCGTCCCTCTGTGCC CTGCAACCTTTCAAAGGCTGGGCGCTGTACTGTGCAGGAAAGGCTGCTCGTGATATGCTG TTCCAGGTCCTGGCGCTGGAGGAACCTAATGTGAGGGTGCTGAACTATGCCCCAGGTCCT CTGGACACAGACATGCAGCAGTTGGCCCGGGAGACCTCCGTGGACCCAGACATGCGAAAA GGGCTGCAGGAGCTGAAGGCAAAGGGGAAGCTGGTGGATTGCAAGGTGTCAGCCCAGAAA CTGCTGAGCTTACTGGAAAAGGACGAGTTCAAGTCTGGAGCCCACGTGGACTTCTATGAC AAATAA PF00106 adh_short function oxidoreductase activity function oxidoreductase activity, acting on CH-OH group of donors function oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor function sepiapterin reductase activity function catalytic activity process metabolism process cellular metabolism process aromatic compound metabolism process aromatic compound biosynthesis process pteridine and derivative biosynthesis process physiological process process tetrahydrobiopterin biosynthesis BE0001641 Methylmalonyl-CoA carboxyltransferase 5S subunit Propionibacterium freudenreichii subsp. shermanii # 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 Methylmalonyl-CoA carboxyltransferase 5S subunit Energy production and conversion The 5S subunit specifically catalyzes the transfer of the carboxyl group from biotin of the 1.3S subunit to pyruvate to form oxaloacetate and 1.3S biotin None 5.51 55650.0 Propionibacterium freudenreichii subsp. shermanii GenBank Gene Database AJ606310 GenBank Protein Database 38304072 UniProtKB Q70AC7 UniProt Accession 5S_PROFR EC 2.1.3.1 Transcarboxylase 5S subunit >Methylmalonyl-CoA carboxyltransferase 5S subunit MSPREIEVSEPREVGITELVLRDAHQSLMATRMAMEDMVGACADIDAAGYWSVECWGGAT YDSCIRFLNEDPWERLRTFRKLMPNSRLQMLLRGQNLLGYRHYNDEVVDRFVDKSAENGM DVFRVFDAMNDPRNMAHAMAAVKKAGKHAQGTICYTISPVHTVEGYVKLAGQLLDMGADS IALKDMAALLKPQPAYDIIKAIKDTYGQKTQINLHCHSTTGVTEVSLMKAIEAGVDVVDT AISSMSLGPGHNPTESVAEMLEGTGYTTNLDYDRLHKIRDHFKAIRPKYKKFESKTLVDT SIFKSQIPGGMLSNMESQLRAQGAEDKMDEVMAEVPRVRKAAGFPPLVTPSSQIVGTQAV FNVMMGEYKRMTGEFADIMLGYYGASPADRDPKVVKLAEEQSGKKPITQRPADLLPPEWE KQSKEAATLKGFNGTDEDVLTYALFPQVAPVFFEHRAEGPHSVALTDAQLKAEAEGDEKS LAVAGPVTYNVNVGGTVREVTVQQA >1560 bp ATGAGTCCGCGAGAAATTGAGGTTTCCGAGCCGCGCGAGGTTGGTATCACCGAGCTCGTG CTGCGCGATGCCCATCAGAGCCTGATGGCCACACGAATGGCAATGGAAGACATGGTCGGC GCCTGTGCAGACATTGATGCTGCCGGGTACTGGTCAGTGGAGTGTTGGGGTGGTGCCACG TATGACTCGTGTATCCGCTTCCTCAACGAGGATCCTTGGGAGCGTCTGCGCACGTTCCGC AAGCTGATGCCCAACAGCCGTCTCCAGATGCTGCTGCGTGGCCAGAACCTGCTGGGTTAC CGCCACTACAACGACGAGGTCGTCGATCGTTTCGTCGACAAGTCCGCTGAGAACGGCATG GACGTGTTCCGTGTCTTCGACGCCATGAATGATCCCCGCAATATGGCGCACGCCATGGCT GCCGTCAAGAAGGCCGGCAAGCACGCGCAGGGCACCATTTGCTACACGATCAGCCCGGTC CACACCGTTGAGGGCTATGTCAAGCTTGCTGGTCAGCTGCTCGACATGGGTGCTGATTCC ATCGCCCTGAAGGACATGGCCGCCCTGCTCAAGCCGCAGCCGGCCTACGACATCATCAAG GCCATCAAGGACATACGGCCAGAAGACGCAGATCAACCTGCACTGCACTCCACCACGGGT GTCACCGAGGTCTCCCTCATGAAGGCCATCGAGGCCGGCGTCGACACCGCCATCTCGTCC ATGTCGCTCGGCCCGGGCCACAACCCCACCGAGTCGGTTGCCGAGATGCTCGAGGGCACC GGGTACACCACCAACCTTGACTACGATCGCCTGCACAAGATCCGCGATCACTTCAAGGCC ATCCGCCCGAAGTACAAGAAGTTCGAGTCGAAGACGCTTGTCGACACCTCGATCTTCAAG TCGCAGATCCCCGGCGGCATGCTGTCCAACATGGAGTCGCAGCTGCGCGCCCAGGGCGCC GAGGACAAGATGGACGAGGTCATGGCAGAGGTGCCGCGCGTCCGAAGGCCGGCGCCGGTT TTCCCCGCCCCTGGTCACCCCGTCCAGCCAGATCGTCGGCACGCAGGCCTGTTCAACGTG ATGATGGGCGAGTACAAGAGGATGACCGGCGAGTTCGCAGATATCATGCTCGGCTACTAC GGCGCCACGCCGGCCGATCGCGATCCGAAGTGGTCAGTTGGCGAGGAGCATCGCAGAGCG ATCACCCAGCGCCCGGCCGATCACGATCCGAAGGTGGTCAAGTTGGCCGAGGAGCAGTCC GGCAAGAAGCCGATCACCCAGCGCCCGGCCGATCTGCTGCCCCCCGAGTGGGAGGAGCAG TCCAAGGAGCCGCGCCCTAAGGGCTTCAACGGCACCGACGAGGACGTGCTCACCTATGCA CTGTTCCCGCAGGTCGCTCCGGTCTTCTTCGAGAGTCGGCCGAGGGCCGCAGAGGTGGCT CTCACCGATGCCCAGCTGAAGGCCGAGGCGAGGGCGACGAGAAGTGTCGCCGTGGCCGGT CCCGTCACCTACAACGTGAACGTGCGGAACCGTCCGCAAGTCACCGTTCAGCAGGCGTGA PF00682 HMGL-like PF02436 PYC_OADA function catalytic activity BE0002811 Citrate lyase subunit beta-like protein Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422) unknown Citrate lyase subunit beta-like protein Involved in citrate (pro-3S)-lyase activity May play a role in fatty acid biosynthesis (Potential) DR_1240 None 4.91 29980.0 Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422) GenBank Gene Database AE000513 UniProtKB Q9RUZ0 UniProt Accession CITEL_DEIRA EC 4.1.-.- >Citrate lyase beta subunit-like protein MNAPPALLRSVLFAPGNRADLIAKLPRSAPDAVVIDLEDAVPGTAEAKAAARPVAHDAAR DLIAAAPHLAVFVRVNALHSPYFEDDLSVLTPELSGVVVPKLEMGAEARQVAQMLQERSL PLPILAGLETGAGVWNAREIMEVPEVAWAYFGAEDYTTDLGGKRTPGGLEVLYARSQVAL AARLTGVAALDIVVTALNDPETFRADAEQGRALGYSGKLCIHPAQVALAHEYFGPTEADR ARARALLDAAAAAAQRGHGAFSFEGQMVDEPMLAKARTLLSHEA >855 bp TCAGGCTTCGTGGCTCAGCAGAGTGCGGGCTTTGGCGAGCATCGGCTCGTCCACCATCTG CCCCTCAAAACTAAAGGCGCCGTGGCCCCGTTGCGCGGCGGCGGCGGCAGCATCGAGCAG GGCGCGGGCACGGGCACGGTCGGCCTCGGTCGGCCCGAAATATTCGTGGGCAAGGGCTAC CTGCGCCGGATGGATGCAGAGTTTGCCGCTGTAGCCCAGGGCGCGGCCCTGCTCGGCGTC GGCGCGGAAGGTCTCGGGGTCGTTGAGTGCCGTCACCACGATGTCGAGCGCCGCCACTCC GGTCAGTCGCGCCGCGAGCGCCACCTGTGAGCGGGCGTAGAGGACTTCCAGTCCCCCCGG CGTGCGCTTGCCGCCCAGGTCAGTGGTGTAGTCCTCGGCACCGAAATAAGCCCAGGCGAC CTCGGGCACCTCCATGATTTCGCGGGCGTTCCAGACCCCGGCTCCGGTTTCCAGACCCGC CAGGATGGGCAGCGGCAGGCTGCGCTCCTGGAGCATCTGCGCCACCTGCCGCGCCTCAGC GCCCATTTCCAGTTTGGGAACCACCACGCCGCTCAGTTCGGGGGTCAGCACACTCAGGTC GTCCTCGAAATACGGCGAGTGCAGCGCATTGACCCGCACGAACACGGCGAGGTGCGGTGC GGCGGCAATGAGGTCACGGGCCGCGTCGTGCGCCACTGGGCGGGCGGCGGCCTTCGCCTC GGCGGTGCCCGGCACGGCGTCTTCGAGGTCGATCACCACCGCGTCCGGGGCCGAGCGCGG CAATTTGGCAATCAGGTCGGCACGGTTCCCCGGCGCGAACAGCACCGAGCGGAGCAGAGC AGGAGGGGCATTCAC PF03328 HpcH_HpaI component protein complex component citrate lyase complex function carbon-carbon lyase activity function oxo-acid-lyase activity function citrate (pro-3S)-lyase activity function catalytic activity function lyase activity "
rdfs:label	"Oxaloacetate Ion"
owl:sameAs	drug:EXPT02406

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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