Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02337"

Predicate	Value (sorted: default)
rdfs:label	"S-(D-Carboxybutyl)-L-Homocysteine"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Amino Fatty Acids Dicarboxylic Acids and Derivatives Polyols Thioethers Enolates Polyamines Carboxylic Acids Monoalkylamines dicarboxylic acid derivative polyol enolate polyamine thioether carboxylic acid amine primary amine primary aliphatic amine organonitrogen compound logP -1.6 ALOGPS logS -2.1 ALOGPS Water Solubility 1.98e+00 g/l ALOGPS logP -1.9 ChemAxon IUPAC Name 5-{[(3S)-3-amino-3-carboxypropyl]sulfanyl}pentanoic acid ChemAxon Traditional IUPAC Name 5-{[(3S)-3-amino-3-carboxypropyl]sulfanyl}pentanoic acid ChemAxon Molecular Weight 235.301 ChemAxon Monoisotopic Weight 235.087828727 ChemAxon SMILES N[C@@H](CCSCCCCC(O)=O)C(O)=O ChemAxon Molecular Formula C9H17NO4S ChemAxon InChI InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1 ChemAxon InChIKey InChIKey=BMONDXDFXRPNKQ-ZETCQYMHSA-N ChemAxon Polar Surface Area (PSA) 100.62 ChemAxon Refractivity 57.78 ChemAxon Polarizability 25.23 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 2.55 ChemAxon pKa (strongest basic) 9.5 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 446994 PubChem Substance 46505551 ChemSpider 2757972 PDB CBH BE0000845 Betaine--homocysteine S-methyltransferase 1 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 Betaine--homocysteine S-methyltransferase 1 Amino acid transport and metabolism Involved in the regulation of homocysteine metabolism. Converts betaine and homocysteine to dimethylglycine and methionine, respectively. This reaction is also required for the irreversible oxidation of choline BHMT 5q13.1-q15 Cytoplasm None 6.85 44971.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:1047 GenAtlas BHMT GeneCards BHMT GenBank Gene Database U50929 GenBank Protein Database 1522683 UniProtKB Q93088 UniProt Accession BHMT1_HUMAN EC 2.1.1.5 >Betaine--homocysteine S-methyltransferase MPPVGGKKAKKGILERLNAGEIVIGDGGFVFALEKRGYVKAGPWTPEAAVEHPEAVRQLH REFLRAGSNVMQTFTFYASEDKLENRGNYVLEKISGQEVNEAACDIARQVADEGDALVAG GVSQTPSYLSCKSETEVKKVFLQQLEVFMKKNVDFLIAEYFEHVEEAVWAVETLIASGKP VAATMCIGPEGDLHGVPPGECAVRLVKAGASIIGVNCHFDPTISLKTVKLMKEGLEAAQL KAHLMSQPLAYHTPDCNKQGFIDLPEFPFGLEPRVATRWDIQKYAREAYNLGVRYIGGCC GFEPYHIRAIAEELAPERGFLPPASEKHGSWGSGLDMHTKPWVRARARKEYWENLRIASG RPYNPSMSKPDGWGVTKGTAELMQQKEATTEQQLKELFEKQKFKSQ >1221 bp ATGCCACCCGTTGGGGGCAAAAAGGCCAAGAAGGGCATCCTAGAACGTTTAAATGCTGGA GAGATTGTGATTGGAGATGGAGGGTTTGTCTTTGCACTGGAGAAGAGGGGCTACGTAAAG GCAGGACCCTGGACTCCTGAAGCTGCTGTGGAGCACCCAGAAGCAGTTCGCCAGCTTCAT CGAGAGTTCCTCAGAGCTGGCTCAAACGTCATGCAGACCTTCACCTTCTATGCGAGTGAA GACAAGCTGGAGAACAGGGGCAACTATGTCTTAGAGAAGATATCTGGGCAGGAAGTCAAT GAAGCTGCTTGCGACATCGCCCGACAAGTGGCTGATGAAGGAGATGCTTTGGTAGCAGGA GGAGTGAGTCAGACACCTTCATACCTTAGCTGCAAGAGTGAAACTGAAGTCAAAAAAGTA TTTCTGCAACAGTTAGAGGTCTTTATGAAGAAGAACGTGGACTTCTTGATTGCAGAGTAT TTTGAACACGTTGAAGAAGCTGTGTGGGCAGTTGAAACCTTGATAGCATCCGGTAAACCT GTGGCAGCAACCATGTGCATTGGCCCAGAAGGAGATTTGCATGGCGTGCCCCCCGGCGAG TGTGCAGTGCGCCTGGTGAAAGCAGGAGCATCCATCATTGGTGTGAACTGCCACTTTGAC CCCACCATTAGTTTAAAAACAGTGAAGCTCATGAAGGAGGGCTTGGAGGCTGCCCAACTG AAAGCTCACCTGATGAGCCAGCCCTTGGCTTACCACACTCCTGACTGCAACAAGCAGGGA TTCATCGATCTCCCAGAATTCCCATTTGGACTGGAACCCAGAGTTGCCACCAGATGGGAT ATTCAAAAATACGCCAGAGAGGCCTACAACCTGGGGGTCAGGTACATTGGCGGGTGCTGT GGATTTGAGCCCTACCACATCAGGGCAATTGCAGAGGAGCTGGCCCCAGAAAGGGGCTTT TTGCCACCAGCTTCAGAAAAACATGGCAGCTGGGGAAGTGGTTTGGACATGCACACCAAA CCCTGGGTTAGAGCAAGGGCCAGGAAGGAATACTGGGAGAATCTTCGGATAGCCTCAGGC CGGCCATACAACCCTTCAATGTCAAAGCCAGATGGCTGGGGAGTGACCAAAGGAACAGCC GAGCTGATGCAGCAGAAAGAAGCCACAACTGAGCAGCAGCTGAAAGAGCTCTTTGAAAAA CAAAAATTCAAATCACAGTAG PF02574 S-methyl_trans function transferase activity, transferring one-carbon groups function methyltransferase activity function homocysteine S-methyltransferase activity function S-methyltransferase activity function catalytic activity function transferase activity "
owl:sameAs	drug:EXPT00843

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