Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03680"

PredicateValue (sorted: default)
rdfs:label
"Tartronate"
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 Trioses Dicarboxylic Acids and Derivatives Secondary Alcohols Enolates Polyamines Carboxylic Acid Salts Aldehydes triose monosaccharide dicarboxylic acid derivative monosaccharide secondary alcohol carboxylic acid derivative polyamine enolate carboxylic acid salt alcohol aldehyde logP -0.92 ALOGPS logS 0.55 ALOGPS Water Solubility 5.42e+02 g/l ALOGPS logP -1 ChemAxon IUPAC Name 2-hydroxypropanedioate ChemAxon Traditional IUPAC Name tartronate ChemAxon Molecular Weight 118.045 ChemAxon Monoisotopic Weight 117.990223174 ChemAxon SMILES OC(C([O-])=O)C([O-])=O ChemAxon Molecular Formula C3H2O5 ChemAxon InChI InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2 ChemAxon InChIKey InChIKey=ROBFUDYVXSDBQM-UHFFFAOYSA-L ChemAxon Polar Surface Area (PSA) 100.49 ChemAxon Refractivity 42 ChemAxon Polarizability 8.16 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 2.16 ChemAxon pKa (strongest basic) -4.9 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 17649 PubChem Compound 44 PubChem Substance 46506347 PDB TTN BE0000148 NAD-dependent malic enzyme, 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 unknown NAD-dependent malic enzyme, mitochondrial Energy production and conversion ME2 6p25-p24|18q21 Mitochondrion; mitochondrial matrix None 7.67 65444.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:6984 GenAtlas ME2 GeneCards ME2 GenBank Gene Database M55905 GenBank Protein Database 187300 UniProtKB P23368 UniProt Accession MAOM_HUMAN EC 1.1.1.38 Malic enzyme 2 NAD-dependent malic enzyme, mitochondrial precursor NAD-ME >NAD-dependent malic enzyme, mitochondrial precursor MLSRLRVVSTTCTLACRHLHIKEKGKPLMLNPRTNKGMAFTLQERQMLGLQGLLPPKIET QDIQALRFHRNLKKMTSPLEKYIYIMGIQERNEKLFYRILQDDIESLMPIVYTPTVGLAC SQYGHIFRRPKGLFISISDRGHVRSIVDNWPENHVKAVVVTDGERILGLGDLGVYGMGIP VGKLCLYTACAGIRPDRCLPVCIDVGTDNIALLKDPFYMGLYQKRDRTQQYDDLIDEFMK AITDRYGRNTLIQFEDFGNHNAFRFLRKYREKYCTFNDDIQGTAAVALAGLLAAQKVISK PISEHKILFLGAGEAALGIANLIVMSMVENGLSEQEAQKKIWMFDKYGLLVKGRKAKIDS YQEPFTHSAPESIPDTFEDAVNILKPSTIIGVAGAGRLFTPDVIRAMASINERPVIFALS NPTAQAECTAEEAYTLTEGRCLFASGSPFGPVKLTDGRVFTPGQGNNVYIFPGVALAVIL CNTRHISDSVFLEAAKALTSQLTDEELAQGRLYPPLANIQEVSINIAIKVTEYLYANKMA FRYPEPEDKAKYVKERTWRSEYDSLLPDVYEWPESASSPPVITE >1755 bp ATGTTGTCCCGGTTAAGAGTAGTTTCCACCACTTGTACTTTGGCATGTCGACATTTGCAC ATAAAAGAAAAAGGCAAGCCACTTATGCTGAACCCAAGAACAAACAAGGGAATGGCATTT ACTTTACAAGAACGACAAATGCTTGGTCTTCAAGGACTTCTACCTCCCAAAATAGAGACA CAAGATATTCAAGCCTTACGATTTCATAGAAACTTGAAGAAAATGACTAGCCCTTTGGAA AAATATATCTACATAATGGGAATACAAGAAAGAAATGAGAAATTGTTTTATAGAATACTG CAAGATGACATTGAGAGTTTAATGCCAATTGTATATACACCGACGGTTGGTCTTGCCTGC TCCCAGTATGGACACATCTTTAGAAGACCTAAGGGATTATTTATTTCGATCTCAGACAGA GGTCATGTTAGATCAATTGTGGATAACTGGCCAGAAAATCATGTTAAGGCTGTTGTAGTG ACTGATGGAGAGAGAATTCTGGGTCTTGGAGATCTGGGTGTCTATGGAATGGGAATTCCA GTAGGAAAACTTTGTTTGTATACAGCTTGTGCAGGAATACGGCCTGATAGATGCCTGCCA GTGTGTATTGATGTGGGAACTGATAATATCGCACTCTTAAAAGACCCATTTTACATGGGC TTGTACCAGAAACGAGATCGCACACAACAGTATGATGACCTGATTGATGAGTTTATGAAA GCTATTACTGACAGATATGGCCGGAACACACTCATTCAGTTCGAAGACTTTGGAAATCAT AATGCATTCAGGTTCTTGAGAAAGTACCGAGAAAAATATTGTACTTTCAATGATGATATT CAAGGGACAGCTGCAGTAGCTCTAGCAGGTCTTCTTGCAGCACAAAAAGTTATTAGTAAA CCAATCTCCGAACACAAAATCTTATTCCTTGGAGCAGGAGAGGCTGCTCTTGGAATTGCA AATCTTATAGTTATGTCTATGGTAGAAAATGGCCTGTCAGAACAAGAGGCACAAAAGAAA ATCTGGATGTTTGACAAGTATGGTTTATTAGTTAAGGGACGGAAAGCAAAAATAGATAGT TATCAGGAACCATTTACTCACTCAGCCCCAGAGAGCATACCTGATACTTTTGAAGATGCA GTGAATATACTGAAGCCTTCAACTATTATTGGAGTTGCAGGTGCTGGCCGTCTTTTCACT CCTGATGTAATCAGAGCCATGGCCTCTATCAATGAAAGGCCTGTAATATTTGCATTAAGT AATCCTACAGCACAGGCAGAGTGCACGGCTGAAGAAGCATATACACTTACAGAGGGCAGG TGTTTGTTTGCCAGTGGCAGTCCATTTGGGCCAGTGAAACTTACAGATGGGCGAGTCTTT ACACCAGGTCAAGGAAACAATGTTTATATTTTTCCAGGTGTGGCTTTAGCTGTTATTCTC TGTAACACCCGGCATATTAGTGACAGTGTTTTCCTAGAAGCTGCAAAGGCCCTGACAAGC CAATTGACAGATGAAGAGCTAGCCCAAGGGAGACTTTACCCACCGCTTGCTAATATTCAG GAAGTTTCTATTAACATTGCTATTAAAGTTACAGAATACCTATATGCTAATAAAATGGCT TTCCGATACCCAGAACCTGAAGACAAGGCCAAATATGTTAAAGAAAGAACATGGCGGAGT GAATATGATTCCCTGCTGCCAGATGTGTATGAATGGCCAGAATCTGCATCAAGCCCTCCT GTGATAACAGAATAG PF00390 malic PF03949 Malic_M function catalytic activity function malate dehydrogenase activity function oxidoreductase activity function NAD binding function malic enzyme activity function cofactor binding function coenzyme binding 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 binding process main pathways of carbohydrate metabolism process metabolism process malate metabolism process cellular metabolism process tricarboxylic acid cycle intermediate metabolism process generation of precursor metabolites and energy process energy derivation by oxidation of organic compounds process physiological process BE0000328 NADP-dependent malic enzyme, 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 NADP-dependent malic enzyme, mitochondrial Energy production and conversion ME3 11cen-q22.3 Mitochondrion; mitochondrial matrix None 7.92 67055.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:6985 GenAtlas ME3 GeneCards ME3 GenBank Gene Database X79440 GenBank Protein Database 535012 UniProtKB Q16798 UniProt Accession MAON_HUMAN EC 1.1.1.40 Malic enzyme 3 NADP-dependent malic enzyme, mitochondrial precursor NADP-ME >NADP-dependent malic enzyme, mitochondrial precursor MGAALGTGTRLAPWPGRACGALPRWTPTAPAQGCHSKPGPARPVPLKKRGYDVTRNPHLN KGMAFTLEERLQLGIHGLIPPCFLSQDVQLLRIMRYYERQQSDLDKYIILMTLQDRNEKL FYRVLTSDVEKFMPIVYTPTVGLACQHYGLTFRRPRGLFITIHDKGHLATMLNSWPEDNI KAVVVTDGERILGLGDLGCYGMGIPVGKLALYTACGGVNPQQCLPVLLDVGTNNEELLRD PLYIGLKHQRVHGKAYDDLLDEFMQAVTDKFGINCLIQFEDFANANAFRLLNKYRNKYCM FNDDIQGTASVAVAGILAALRITNNKLSNHVFVFQGAGEAAMGIAHLLVMALEKEGVPKA EATRKIWMVDSKGLIVKGRSHLNHEKEMFAQDHPEVNSLEEVVRLVKPTAIIGVAAIAGA FTEQILRDMASFHERPIIFALSNPTSKAECTAEKCYRVTEGRGIFASGSPFKSVTLEDGK TFIPGQGNNAYVFPGVALGVIAGGIRHIPDEIFLLTAEQIAQEVSEQHLSQGRLYPPLST IRDVSLRIAIKVLDYAYKHNLASYYPEPKDKEAFVRSLVYTPDYDSFTLDSYTWPKEAMN VQTV >1815 bp ATGGGTGCCGCGCTGGGGACAGGCACGCGGCTGGCTCCCTGGCCGGGCCGGGCCTGCGGC GCCCTCCCGCGCTGGACACCCACCGCGCCCGCCCAAGGCTGCCACTCCAAGCCTGGCCCG GCGCGCCCTGTGCCCCTGAAGAAGCGCGGATACGATGTCACCAGGAACCCTCATCTCAAC AAGGGGATGGCCTTTACCCTTGAAGAAAGGCTGCAGCTTGGAATCCACGGCCTAATCCCG CCCTGCTTTCTGAGCCAGGACGTCCAGCTCCTCCGAATCATGAGATATTACGAGCGGCAG CAGAGTGACCTGGACAAGTACATCATTCTCATGACACTCCAAGACCGGAACGAGAAGCTC TTCTACCGAGTGCTGACTTCGGATGTGGAGAAGTTCATGCCAATCGTGTACACGCCTACC GTGGGGCTGGCCTGTCAGCACTATGGCCTGACTTTCCGCAGGCCCCGTGGACTGTTCATC ACCATTCATGACAAAGGTCATCTTGCAACAATGCTGAATTCTTGGCCAGAAGACAATATT AAGGCCGTGGTGGTGACTGATGGGGAGCGCATCCTGGGCCTGGGAGACCTGGGCTGCTAC GGCATGGGCATCCCTGTGGGCAAGCTGGCCCTGTACACGGCATGCGGAGGGGTGAACCCG CAGCAGTGCCTCCCTGTGCTGCTGGACGTCGGCACCAACAATGAGGAGCTGCTCAGAGAC CCTCTGTACATCGGCCTGAAACACCAGCGCGTGCACGGGAAGGCATACGATGACTTGCTG GATGAGTTCATGCAGGCTGTGACAGACAAGTTTGGAATAAATTGCCTCATCCAATTTGAA GACTTCGCCAATGCCAATGCCTTCCGCCTGCTCAACAAATACCGTAACAAGTACTGCATG TTCAATGATGACATCCAAGGCACAGCCTCCGTTGCTGTGGCAGGGATCTTGGCTGCTCTG CGAATCACCAACAACAAGCTTTCCAATCACGTGTTTGTTTTCCAAGGTGCAGGCGAGGCA GCTATGGGCATTGCCCACCTCCTTGTCATGGCCCTAGAGAAAGAAGGTGTACCGAAGGCA GAGGCCACAAGAAAGATCTGGATGGTGGACTCTAAAGGGCTCATTGTCAAGGGGAGGAGC CACCTGAACCATGAAAAGGAGATGTTTGCCCAAGACCATCCTGAAGTCAACTCCCTGGAG GAGGTGGTGAGGCTGGTGAAGCCCACAGCCATCATAGGTGTTGCTGCCATCGCAGGAGCC TTCACGGAGCAGATTCTGAGGGACATGGCCTCCTTCCACGAGCGCCCTATCATCTTTGCC CTGAGCAACCCCACCAGCAAGGCCGAGTGCACGGCTGAGAAGTGCTACCGGGTCACCGAG GGCCGAGGGATTTTTGCCAGTGGAAGTCCTTTTAAGAGTGTGACTCTGGAAGATGGCAAG ACCTTCATTCCTGGGCAGGGAAACAATGCTTACGTGTTCCCCGGGGTGGCACTGGGAGTC ATCGCCGGCGGGATCCGGCACATCCCAGATGAGATCTTCCTCCTGACAGCAGAGCAAATT GCCCAGGAAGTCTCTGAGCAGCATCTGTCCCAGGGGAGACTCTATCCACCACTCAGCACC ATCCGAGACGTGTCTTTGAGAATTGCCATCAAAGTTCTCGACTACGCGTACAAACACAAC CTGGCTTCCTACTACCCAGAGCCTAAGGACAAGGAGGCTTTTGTAAGATCCCTGGTCTAC ACTCCAGACTATGACTCCTTTACACTGGACAGCTACACTTGGCCCAAGGAAGCCATGAAT GTTCAGACGGTCTGA PF00390 malic PF03949 Malic_M function catalytic activity function malate dehydrogenase activity function oxidoreductase activity function NAD binding function malic enzyme activity function cofactor binding function coenzyme binding 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 binding process main pathways of carbohydrate metabolism process metabolism process malate metabolism process cellular metabolism process tricarboxylic acid cycle intermediate metabolism process generation of precursor metabolites and energy process energy derivation by oxidation of organic compounds process physiological process "
owl:sameAs
drug:EXPT03129

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