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PredicateValue (sorted: none)
owl:sameAs
?:EXPT02957
rdfs:label
"(2s,5s)-5-Carboxymethylproline"
rdf:type
ns1:drugs
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 Pyrrolidine Carboxylic Acids Dicarboxylic Acids and Derivatives Enolates Polyamines Carboxylic Acids Dialkylamines Alcohols and Polyols pyrrolidine carboxylic acid pyrrolidine carboxylic acid or derivative dicarboxylic acid derivative pyrrolidine secondary amine polyamine secondary aliphatic amine enolate carboxylic acid amine alcohol organonitrogen compound logP -2.6 ALOGPS logS -0.6 ALOGPS Water Solubility 4.39e+01 g/l ALOGPS logP -2.9 ChemAxon IUPAC Name (2S,5R)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid ChemAxon Traditional IUPAC Name (2S,5R)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid ChemAxon Molecular Weight 173.1665 ChemAxon Monoisotopic Weight 173.068807845 ChemAxon SMILES OC(=O)C[C@H]1CC[C@H](N1)C(O)=O ChemAxon Molecular Formula C7H11NO4 ChemAxon InChI InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+/m1/s1 ChemAxon InChIKey InChIKey=LIZWYFXJOOUDNV-UHNVWZDZSA-N ChemAxon Polar Surface Area (PSA) 86.63 ChemAxon Refractivity 38.52 ChemAxon Polarizability 16.17 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.51 ChemAxon pKa (strongest basic) 11.33 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 45757 PubChem Compound 25201381 PubChem Substance 46507557 PDB SSC BE0002807 Carbapenam-3-carboxylate synthase Erwinia carotovora unknown Carbapenam-3-carboxylate synthase Involved in asparagine synthase (glutamine-hydrolyzing) activity carA None 5.21 55999.0 Erwinia carotovora GenBank Gene Database U17224 UniProtKB Q9XB61 UniProt Accession CARA_ERWCA >CarA MSNSFCVVYKGSDTDINNIQRDFDGKGEALSNGYLFIEQNGHYQKCEMERGTAYLIGSLY NRTFLIGLAGVWEGEAYLANDAELLALLFTRLGANALALAEGDFCFFIDEPNGELTVITE SRGFSPVHVVQGKKAWMTNSLKLVTAAEGEGALWFEEEALVCQSLMRADTYTPVKNAQRL KPGAVHVLTHDSEGYSFVESRTLTTPASNQLLALPREPLLALIDRYLNAPLEDLAPRFDT VGIPLSGGLDSSLVTALASRHFKKLNTYSIGTELSNEFEFSQQVADALGTHHQMKILSET EVINGIIESIYYNEIFDGLSAEIQSGLFNVYRQAQGQVSCMLTGYGSDLLFGGILKPGAQ YDNPNQLLAEQVYRTRWTGEFATHGASCYGIDIRHPFWSHSLISLCHALHPDYKIFDNEV KNILREYADSLQLLPKDIVWRKKIGIHEGSSVNQAFANVLGSTVDNYQTKSRFTYRVYQA FLRGRLSITDVTPSQLKDLIKKD >1512 bp GTGAGCAATAGTTTTTGCGTTGTTTATAAAGGTTCTGATACCGATATAAATAATATCCAA CGCGACTTCGACGGAAAGGGCGAAGCATTATCTAATGGCTATCTTTTTATCGAACAGAAT GGCCATTATCAGAAGTGTGAGATGGAAAGAGGAACGGCCTACCTGATAGGCTCGCTGTAC AATCGGACGTTTCTGATCGGATTGGCCGGTGTGTGGGAAGGCGAGGCTTATCTGGCAAAT GATGCCGAGCTGTTAGCGTTGCTGTTCACGCGTTTGGGAGCGAATGCACTGGCGCTGGCT GAAGGTGACTTCTGCTTTTTCATTGATGAACCAAACGGCGAATTGACGGTGATTACCGAG TCGCGTGGTTTCTCGCCGGTTCATGTCGTACAGGGCAAAAAAGCCTGGATGACCAATAGC CTTAAACTGGTTACTGCGGCAGAAGGTGAAGGCGCGCTGTGGTTTGAAGAAGAGGCGTTG GTGTGCCAGTCGCTGATGCGAGCGGATACCTATACGCCGGTGAAAAATGCGCAGCGTCTT AAGCCGGGAGCGGTGCATGTTCTTACGCACGATAGCGAAGGTTATTCTTTCGTTGAAAGC CGCACGCTGACCACACCAGCCAGCAACCAATTGTTAGCGCTCCCGCGTGAACCGCTGCTG GCATTGATTGATCGCTACCTTAATGCTCCGCTTGAGGATTTAGCGCCGCGCTTTGATACC GTAGGAATTCCCTTGTCAGGCGGTCTGGATTCCAGCCTGGTAACGGCGCTCGCCAGTCGT CATTTCAAAAAATTGAATACGTATTCGATTGGTACGGAACTCAGCAATGAGTTTGAGTTT TCTCAACAGGTTGCTGATGCACTCGGTACACATCATCAGATGAAAATTCTGTCCGAAACT GAAGTGATCAACGGCATCATCGAATCCATCTATTACAACGAAATATTTGACGGCTTATCC GCTGAAATCCAATCCGGGTTGTTCAATGTCTATCGTCAGGCTCAGGGGCAGGTGTCTTGC ATGCTCACCGGATATGGTTCCGACCTGCTCTTTGGCGGCATACTGAAACCAGGAGCGCAG TATGACAATCCGAATCAGCTGCTTGCCGAGCAAGTGTACCGGACGCGTTGGACAGGGGAG TTTGCTACCCACGGTGCTTCCTGTTACGGCATTGATATTCGCCACCCCTTCTGGAGCCAT TCCCTAATCTCTCTATGTCATGCGCTACATCCTGATTACAAAATTTTCGACAACGAAGTC AAAAACATCCTGCGTGAATACGCCGATTCGCTGCAATTGCTGCCGAAAGACATTGTCTGG CGCAAGAAAATCGGCATTCACGAAGGTTCCTCCGTCAATCAGGCCTTTGCGAATGTTCTC GGGTCAACGGTTGATAACTACCAGACCAAAAGTCGCTTTACCTACCGTGTTTATCAAGCC TTCCTTCGTGGCCGTCTCTCCATTACAGATGTGACGCCCTCTCAGCTTAAAGATCTGATT AAAAAGGATTAA PF00733 Asn_synthase function ligase activity function ligase activity, forming carbon-nitrogen bonds function asparagine synthase (glutamine-hydrolyzing) activity function carbon-nitrogen ligase activity, with glutamine as amido-N-donor function catalytic activity process amino acid and derivative metabolism process aspartate family amino acid metabolism process physiological process process asparagine metabolism process asparagine biosynthesis process metabolism process cellular metabolism process amino acid metabolism "

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

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