Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03662"

Predicate	Value (sorted: none)
owl:sameAs	?:EXPT02714
ns1: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 Organic Phosphoric Acids Pyridines and Derivatives Organophosphate Esters Polyols Enolates Dialkylamines Carboxylic Acids Polyamines pyridine phosphoric acid ester organic phosphate polyol carboxylic acid polyamine secondary amine enolate secondary aliphatic amine amine organonitrogen compound logP -1.1 ALOGPS logS -2.5 ALOGPS Water Solubility 1.00e+00 g/l ALOGPS logP -3.2 ChemAxon IUPAC Name (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid ChemAxon Traditional IUPAC Name (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid ChemAxon Molecular Weight 348.2888 ChemAxon Monoisotopic Weight 348.108637548 ChemAxon SMILES CCC[C@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O ChemAxon Molecular Formula C13H21N2O7P ChemAxon InChI InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1 ChemAxon InChIKey InChIKey=YYAMSLLSQINIQO-NSHDSACASA-N ChemAxon Polar Surface Area (PSA) 149.21 ChemAxon Refractivity 81.11 ChemAxon Polarizability 33.03 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 8 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 1.14 ChemAxon pKa (strongest basic) 10.08 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 444861 PubChem Substance 46508757 PDB PY5 BE0001217 Aspartate aminotransferase 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 Aspartate aminotransferase Amino acid transport and metabolism L-aspartate + 2-oxoglutarate = oxaloacetate + L-glutamate aspC Cytoplasm None 5.5 43574.0 Escherichia coli (strain K12) GenBank Gene Database X03629 GenBank Protein Database 41011 UniProtKB P00509 UniProt Accession AAT_ECOLI ASPAT EC 2.6.1.1 Transaminase A >Aspartate aminotransferase MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENE TTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSV KRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGC CHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIV ASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSN DALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLR LREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL >1191 bp ATGTTTGAGAACATTACCGCCGCTCCTGCCGACCCGATTCTGGGCCTGGCCGATCTGTTT CGTGCCGATGAACGTCCCGGCAAAATTAACCTCGGGATTGGTGTCTATAAAGATGAGACG GGCAAAACCCCGGTACTGACCAGCGTGAAAAAGGCTGAACAGTATCTGCTCGAAAATGAA ACCACCAAAAATTACCTCGGCATTGACGGCATCCCTGAATTTGGTCGCTGCACTCAGGAA CTGCTGTTTGGTAAAGGTAGCGCCCTGATCAATGACAAACGTGCTCGCACGGCACAGACT CCGGGGGGCACTGGCGCACTACGCGTGGCTGCCGATTTCCTGGCAAAAAATACCAGCGTT AAGCGTGTGTGGGTGAGCAACCCAAGCTGGCCGAACCATAAGAGCGTCTTTAACTCTGCA GGTCTGGAAGTTCGTGAATACGCTTATTATGATGCGGAAAATCACACTCTTGACTTCGAT GCACTGATTAACAGCCTGAATGAAGCTCAGGCTGGCGACGTAGTGCTGTTCCATGGCTGC TGCCATAACCCAACCGGTATCGACCCTACGCTGGAACAATGGCAAACACTGGCACAACTC TCCGTTGAGAAAGGCTGGTTACCGCTGTTTGACTTCGCTTACCAGGGTTTTGCCCGTGGT CTGGAAGAAGATGCTGAAGGACTGCGCGCTTTCGCGGCTATGCATAAAGAGCTGATTGTT GCCAGTTCCTACTCTAAAAACTTTGGCCTGTACAACGAGCGTGTTGGCGCTTGTACTCTG GTTGCTGCCGACAGTGAAACCGTTGATCGCGCATTCAGCCAAATGAAAGCGGCGATTCGC GCTAACTACTCTAACCCACCAGCACACGGCGCTTCTGTTGTTGCCACCATCCTGAGCAAC GATGCGTTACGTGCGATTTGGGAACAAGAGCTGACTGATATGCGCCAGCGTATTCAGCGT ATGCGTCAGTTGTTCGTCAATACGCTGCAGGAAAAAGGCGCAAACCGCGACTTCAGCTTT ATCATCAAACAGAACGGCATGTTCTCCTTCAGTGGCCTGACAAAAGAACAAGTGCTGCGT CTGCGCGAAGAGTTTGGCGTATATGCGGTTGCTTCTGGTCGCGTAAATGTGGCCGGGATG ACACCAGATAACATGGCTCCGCTGTGCGAAGCGATTGTGGCAGTGCTGTAA PF00155 Aminotran_1_2 function transferase activity function transferase activity, transferring nitrogenous groups function transaminase activity function catalytic activity process biosynthesis process physiological process process metabolism process cellular metabolism process amino acid metabolism process amino acid and derivative metabolism "
rdf:type	ns1:drugs
rdfs:label	"Vitamin B6 Complexed with 2-Amino-Pentanoic Acid"

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

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