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PredicateValue (sorted: none)
rdfs:label
"2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid"
ns1:drugCategory
?:Herbicides
rdf:type
ns1:drugs
ns1:description
" 51276-47-2 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 Enolates Polyamines Carboxylic Acids Monoalkylamines carboxylic acid enolate polyamine primary amine amine primary aliphatic amine organonitrogen compound Herbicides logP -2.5 ALOGPS logS -0.59 ALOGPS Water Solubility 4.63e+01 g/l ALOGPS logP -3.8 ChemAxon IUPAC Name (2R)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid ChemAxon Traditional IUPAC Name (2R)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid ChemAxon Molecular Weight 181.1268 ChemAxon Monoisotopic Weight 181.050394389 ChemAxon SMILES C[P@@](O)(=O)CC[C@@H](N)C(O)=O ChemAxon Molecular Formula C5H12NO4P ChemAxon InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1 ChemAxon InChIKey InChIKey=IAJOBQBIJHVGMQ-SCSAIBSYSA-N ChemAxon Polar Surface Area (PSA) 100.62 ChemAxon Refractivity 39.66 ChemAxon Polarizability 16.03 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.86 ChemAxon pKa (strongest basic) 9.53 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Melting Point 230 dec °C PhysProp PubChem Compound 6971307 PubChem Substance 46506119 KEGG Compound C05042 ChemSpider 4630 BindingDB 50220010 PDB PPQ BE0001881 Glutamine synthetase Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) # 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 Glutamine synthetase Amino acid transport and metabolism ATP + L-glutamate + NH(3) = ADP + phosphate + L-glutamine glnA Cytoplasm None 5.34 51786.0 Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) GenBank Gene Database M14536 GenBank Protein Database 154090 UniProtKB P0A1P6 UniProt Accession GLNA_SALTY EC 6.3.1.2 Glutamate--ammonia ligase >Glutamine synthetase MSAEHVLTMLNEHEVKFVDLRFTDTKGKEQHVTIPAHQVNAEFFEEGKMFDGSSIGGWKG INESDMVLMPDASTAVIDPFFADSTLIIRCDILEPGTLQGYDRDPRSIAKRAEDYLRATG IADTVLFGPEPEFFLFDDIRFGASISGSHVAIDDIEGAWNSSTKYEGGNKGHRPGVKGGY FPVPPVDSAQDIRSEMCLVMEQMGLVVEAHHHEVATAGQNEVATRFNTMTKKADEIQIYK YVVHNVAHRFGKTATFMPKPMFGDNGSGMHCHMSLAKNGTNLFSGDKYAGLSEQALYYIG GVIKHAKAINALANPTTNSYKRLVPGYEAPVMLAYSARNRSASIRIPVVASPKARRIEVR FPDPAANPYLCFAALLMAGLDGIKNKIHPGEAMDKNLYDLPPEEAKEIPQVAGSLEEALN ALDLDREFLKAGGVFTDEAIDAYIALRREEDDRVRMTPHPVEFELYYSV >1407 bp ATGTCCGCTGAACACGTTTTGACGATGCTGAACGAGCACGAAGTGAAGTTTGTCGATCTG CGCTTCACCGATACCAAAGGCAAAGAACAGCACGTCACGATTCCTGCTCATCAGGTAAAT GCCGAATTCTTTGAAGAAGGCAAAATGTTTGACGGCTCCTCTATCGGCGGCTGGAAAGGC ATTAACGAATCCGACATGGTGCTGATGCCCGATGCGTCCACTGCGGTTATCGACCCGTTC TTCGCGGACTCCACCCTGATTATCCGTTGTGACATCCTGGAGCCTGGCACTCTGCAAGGT TATGACCGTGACCCACGTTCCATCGCAAAACGTGCGGAAGACTACCTGCGCGCGACCGGT ATCGCCGATACCGTCCTGTTTGGGCCGGAACCTGAATTCTTCCTGTTCGACGACATCCGC TTCGGCGCATCTATCTCCGGCTCACATGTGGCGATTGACGATATTGAAGGCGCCTGGAAC TCCTCTACCAAGTACGAAGGCGGCAACAAAGGCCATCGTCCGGGCGTGAAAGGCGGTTAT TTCCCGGTTCCGCCAGTTGACTCCGCGCAGGATATCCGTTCTGAAATGTGTCTGGTCATG GAGCAGATGGGCCTGGTCGTTGAAGCGCACCACCACGAAGTAGCGACCGCAGGTCAGAAC GAAGTCGCGACCCGCTTTAACACCATGACCAAAAAAGCCGACGAAATTCAGATTTACAAA TATGTCGTGCATAACGTGGCTCACCGCTTCGGTAAGACCGCGACCTTTATGCCAAAACCG ATGTTCGGCGATAACGGTTCCGGTATGCACTGCCACATGTCTCTGGCGAAGAACGGCACC AACCTGTTCTCTGGCGACAAATATGCCGGCCTGTCTGAACAAGCGCTGTACTACATCGGC GGCGTCATCAAACACGCCAAAGCCATCAACGCCCTGGCGAACCCGACCACCAACTCCTAC AAGCGTCTGGTCCCGGGTTACGAAGCGCCGGTGATGCTGGCCTACTCCGCCCGTAACCGT TCCGCCTCCATCCGTATTCCGGTGGTGGCGTCTCCGAAAGCGCGCCGTATCGAAGTTCGC TTCCCGGACCCGGCGGCTAACCCGTATCTGTGCTTTGCCGCCCTGCTGATGGCCGGTCTG GACGGGATTAAGAATAAGATTCACCCGGGCGAACCGATGGACAAAAACCTGTATGACCTG CCGCCGGAAGAAGCGAAAGAGATCCCACAGGTAGCGGGTTCTCTGGAAGAAGCGCTGAAC GCGCTGGACCTGGACCGCGAGTTCCTGAAAGCAGGCGGCGTGTTCACTGATGAAGCGATC GATGCGTATATTGCGCTGCGTCCGGAAGAAGATGACCGCGTGCGTATGACCCCGCACCCG GTAGAGTTTGAGCTGTACTACAGCGTT PF00120 Gln-synt_C PF03951 Gln-synt_N component cell component intracellular component cytoplasm function ligase activity function catalytic activity function ligase activity, forming carbon-nitrogen bonds function acid-ammonia (or amide) ligase activity function ammonia ligase activity function glutamate-ammonia ligase activity process physiological process process metabolism process cellular metabolism process amino acid metabolism process nitrogen compound metabolism process amino acid and derivative metabolism process nitrogen fixation process glutamine family amino acid metabolism process glutamine metabolism process glutamine biosynthesis "
owl:sameAs
?:EXPT02645

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