Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03576"

Predicate	Value (sorted: default)
rdfs:label	"N-Pyridoxyl-Threonine-5-Monophosphate"
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 Beta Hydroxy Acids and Derivatives Organic Phosphoric Acids Pyridines and Derivatives Organophosphate Esters Polyols Secondary Alcohols Enolates Carboxylic Acids Dialkylamines Polyamines beta-hydroxy acid hydroxy acid pyridine phosphoric acid ester organic phosphate polyol secondary alcohol polyamine carboxylic acid secondary amine enolate secondary aliphatic amine organonitrogen compound amine alcohol logP -1.9 ALOGPS logS -2.4 ALOGPS Water Solubility 1.52e+00 g/l ALOGPS logP -5.3 ChemAxon IUPAC Name (2R,3R)-3-hydroxy-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid ChemAxon Traditional IUPAC Name (2R,3R)-3-hydroxy-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid ChemAxon Molecular Weight 350.2616 ChemAxon Monoisotopic Weight 350.087902106 ChemAxon SMILES C[C@@H](O)[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O ChemAxon Molecular Formula C12H19N2O8P ChemAxon InChI InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10-/m1/s1 ChemAxon InChIKey InChIKey=IZWQBQLGLAKRMN-GMSGAONNSA-N ChemAxon Polar Surface Area (PSA) 169.44 ChemAxon Refractivity 77.95 ChemAxon Polarizability 31.5 ChemAxon Rotatable Bond Count 8 ChemAxon H Bond Acceptor Count 9 ChemAxon H Bond Donor Count 6 ChemAxon pKa (strongest acidic) 1 ChemAxon pKa (strongest basic) 9.51 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon PubChem Compound 17754202 PubChem Substance 46507120 PDB TLP BE0002839 L-allo-threonine aldolase Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) unknown L-allo-threonine aldolase Involved in lyase activity TM_1744 None 6.68 37575.0 Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) GenBank Gene Database AE000512 UniProtKB Q9X266 UniProt Accession Q9X266_THEMA >L-allo-threonine aldolase MIDLRSDTVTKPTEEMRKAMAQAEVGDDVYGEDPTINELERLAAETFGKEAALFVPSGTM GNQVSIMAHTQRGDEVILEADSHIFWYEVGAMAVLSGVMPHPVPGKNGAMDPDDVRKAIR PRNIHFPRTSLIAIENTHNRSGGRVVPLENIKEICTIAKEHGINVHIDGARIFNASIASG VPVKEYAGYADSVMFCLSKGLCAPVGSVVVGDRDFIERARKARKMLGGGMRQAGVLAAAG IIALTKMVDRLKEDHENARFLALKLKEIGYSVNPEDVKTNMVILRTDNLKVNAHGFIEAL RNSGVLANAVSDTEIRLVTHKDVSRNDIEEALNIFEKLFRKFS >1032 bp ATGATCGATCTCAGGTCCGACACCGTTACAAAACCAACAGAAGAGATGAGAAAAGCCATG GCACAGGCTGAGGTGGGAGACGATGTGTACGGAGAAGATCCAACCATCAACGAACTCGAA AGGCTCGCCGCAGAGACCTTTGGAAAGGAAGCGGCTCTCTTTGTACCCTCCGGCACCATG GGAAATCAAGTGAGCATAATGGCTCACACCCAGAGGGGCGATGAAGTGATACTGGAGGCA GACAGCCACATCTTCTGGTACGAGGTCGGAGCCATGGCGGTTCTCTCCGGAGTCATGCCC CATCCTGTACCTGGAAAAAATGGAGCCATGGACCCCGATGATGTGAGGAAGGCCATAAGA CCCAGAAACATACACTTCCCCAGAACTTCGCTCATTGCCATCGAAAACACACACAACCGT TCCGGTGGAAGAGTGGTCCCGCTTGAAAACATAAAAGAGATTTGCACGATAGCCAAAGAA CACGGCATAAACGTTCACATAGATGGTGCGAGGATCTTCAACGCCTCAATCGCTTCAGGT GTTCCCGTGAAGGAGTACGCCGGGTACGCCGATTCCGTGATGTTCTGTCTTTCAAAAGGT CTCTGCGCACCCGTCGGTTCGGTGGTTGTAGGAGACAGGGACTTCATAGAAAGAGCGAGA AAGGCGAGAAAGATGCTCGGTGGAGGGATGAGACAGGCAGGTGTTCTCGCTGCCGCTGGA ATAATCGCCTTGACAAAGATGGTAGATCGATTGAAAGAAGATCATGAAAACGCCAGATTT CTCGCCCTGAAGTTGAAAGAAATAGGGTACTCCGTGAATCCCGAAGATGTGAAAACCAAC ATGGTGATTCTGAGGACCGACAACCTGAAGGTGAACGCGCACGGGTTCATAGAAGCGCTC AGAAACAGCGGGGTGCTCGCGAACGCCGTATCCGACACGGAGATCAGACTGGTAACCCAC AAAGACGTTTCAAGAAACGACATAGAAGAGGCTCTGAACATCTTCGAAAAACTCTTCAGA AAATTCTCCTGA PF01212 Beta_elim_lyase function catalytic activity function lyase activity process metabolism process cellular metabolism process amino acid metabolism process amino acid and derivative metabolism process physiological process "
owl:sameAs	drug:EXPT03066

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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