Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02410"

Predicate	Value (sorted: none)
ns1:description	" experimental This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. Organic Pyrophosphates Organic Compounds Organooxygen Compounds Organic Oxoanionic Compounds Organic Pyrophosphates 2,4,5-trisubstituted Thiazoles Aminopyrimidines and Derivatives Organic Phosphoric Acids Organophosphate Esters Primary Aromatic Amines Ketones Polyamines Enolates 2,4,5-trisubstituted 1,3-thiazole aminopyrimidine pyrimidine primary aromatic amine organic phosphate phosphoric acid ester thiazole azole ketone polyamine enolate amine primary amine carbonyl group organonitrogen compound logP -0.19 ALOGPS logS -3.9 ALOGPS Water Solubility 5.96e-02 g/l ALOGPS logP -6.9 ChemAxon IUPAC Name 2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium ChemAxon Traditional IUPAC Name 2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium ChemAxon Molecular Weight 467.351 ChemAxon Monoisotopic Weight 467.055532382 ChemAxon SMILES CC(=O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1 ChemAxon Molecular Formula C14H21N4O8P2S ChemAxon InChI InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1 ChemAxon InChIKey InChIKey=GYRGKLZCJRVYRV-UHFFFAOYSA-O ChemAxon Polar Surface Area (PSA) 186.04 ChemAxon Refractivity 105.21 ChemAxon Polarizability 40.57 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 9 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 1.78 ChemAxon pKa (strongest basic) 5.53 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 4369479 PubChem Substance 46504515 ChemSpider 3572025 PDB HTL BE0002674 Pyruvate-flavodoxin oxidoreductase Desulfovibrio africanus unknown Pyruvate-flavodoxin oxidoreductase Involved in electron carrier activity Oxidoreductase required for the transfer of electrons from pyruvate to flavodoxin, which reduces nitrogenase (By similarity) por None 6.81 133682.0 Desulfovibrio africanus GenBank Gene Database Y09702 UniProtKB P94692 UniProt Accession P94692_DESAF >Pyruvate-ferredoxin oxidoreductase MGKKMMTTDGNTATAHVAYAMSEVAAIYPITPSSTMGEEADDWAAQGRKNIFGQTLTIRE MQSEAGAAGAVHGALAAGALTTTFTASQGLLLMIPNMYKISGELLPGVFHVTARAIAAHA LSIFGDHQDIYAARQTGFAMLASSSVQEAHDMALVAHLAAIESNVPFMHFFDGFRTSHEI QKIEVLDYADMASLVNQKALAEFRAKSMNPEHPHVRGTAQNPDIYFQGREAANPYYLKVP GIVAEYMQKVASLTGRSYKLFDYVGAPDAERVIVSMGSSCETIEEVINHLAAKGEKIGLI KVRLYRPFVSEAFFAALPASAKVITVLDRTKEPGAPGDPLYLDVCSAFVERGEAMPKILA GRYGLGSKEFSPAMVKSVYDNMSGAKKNHFTVGIEDDVTGTSLPVDNAFADTTPKGTIQC QFWGLGADGTVGANKQAIKIIGDNTDLFAQGYFSYDSKKSGGITISHLRFGEKPIQSTYL VNRADYVACHNPAYVGIYDILEGIKDGGTFVLNSPWSSLEDMDKHLPSGIKRTIANKKLK FYNIDAVKIATDVGLGGRINMIMQTAFFKLAGVLPFEKAVDLLKKSIHKAYGKKGEKIVK MNTDAVDQAVTSLQEFKYPDSWKDAPAETKAEPMTNEFFKNVVKPILTQQGDKLPVSAFE ADGRFPLGTSQFEKRGVAINVPQWVPENCIQCNQCAFVCPHSAILPVLAKEEELVGAPAN FTALEAKGKELKGYKFRIQINTLDCMGCGNCADICPPKEKALVMQPLDTQRDAQVPNLEY AARIPVKSEVLPRDSLKGSQFQEPLMEFSGACSGCGETPYVRVITQLFGERMFIANATGC SSIWGASAPSMPYKTNRLGQGPAWGNSLFEDAAEYGFGMNMSMFARRTHLADLAAKALES DASGDVKEALQGWLAGKNDPIKSKEYGDKLKKLLAGQKDGLLGQIAAMSDLYTKKSVWIF GGDGWAYDIGYGGLDHVLASGEDVNVFVMDTEVYSNTGGQSSKATPTGAVAKFAAAGKRT GKKDLARMVMTYGYVYVATVSMGYSKQQFLKVLKEAESFPGPSLVIAYATCINQGLRKGM GKSQDVMNTAVKSGYWPLFRYDPRLAAQGKNPFQLDSKAPDGSVEEFLMAQNRFAVLDRS FPEDAKRLRAQVAHELDVRFKELEHMAATNIFESFAPAGGKADGSVDFGEGAEFCTRDDT PMMARPDSGEACDQNRAGTSEQQGDLSKRTKK >3699 bp ATGGGAAAGAAAATGATGACGACTGATGGCAATACAGCGACAGCGCACGTGGCGTATGCC ATGAGCGAAGTCGCCGCCATCTACCCCATCACCCCTTCCTCGACCATGGGCGAGGAGGCT GACGACTGGGCGGCGCAAGGACGCAAGAACATCTTTGGCCAGACCCTGACCATACGCGAA ATGCAGTCCGAGGCCGGCGCCGCCGGCGCGGTGCACGGGGCCCTGGCGGCCGGCGCCCTG ACCACGACCTTCACGGCGTCGCAGGGTCTGCTGCTGATGATCCCCAACATGTACAAGATC TCCGGCGAACTTCTGCCCGGCGTGTTCCACGTCACCGCCCGCGCCATCGCCGCGCACGCC CTGTCCATCTTCGGTGACCACCAGGATATCTACGCCGCGCGCCAGACAGGCTTCGCCATG CTCGCCTCCAGCTCGGTGCAGGAGGCCCACGACATGGCCCTGGTGGCCCACTTGGCGGCC ATCGAGTCCAACGTGCCGTTCATGCACTTCTTCGACGGATTCCGCACCTCGCACGAAATC CAGAAGATCGAGGTCCTGGACTACGCGGACATGGCCTCGCTGGTGAACCAGAAGGCCCTG GCGGAATTCCGCGCCAAGTCCATGAACCCCGAGCACCCCCACGTGCGCGGCACGGCCCAG AACCCCGACATCTACTTCCAGGGTCGCGAGGCAGCCAACCCCTACTACCTCAAGGTGCCC GGCATCGTTGCCGAGTACATGCAGAAGGTCGCCTCCCTCACGGGCCGCAGCTACAAGCTC TTTGACTACGTGGGTGCTCCCGACGCCGAGCGCGTCATCGTGTCCATGGGCTCCTCGTGC GAGACCATCGAGGAGGTCATCAACCACCTCGCGGCCAAGGGCGAAAAGATCGGCCTGATC AAGGTCCGCCTGTACAGGCCCTTCGTAAGCGAGGCCTTCTTCGCTGCTCTGCCCGCTTCG GCCAAGGTCATCACGGTCCTCGACCGCACCAAGGAACCCGGCGCGCCCGGCGATCCGCTC TACCTCGACGTGTGCTCGGCCTTCGTGGAGCGCGGCGAAGCCATGCCCAAGATCCTGGCC GGCCGCTACGGCCTGGGTTCCAAGGAATTCAGCCCGGCCATGGTCAAGTCCGTGTACGAC AACATGTCCGGCGCTAAGAAGAACCACTTCACCGTGGGCATCGAAGACGACGTGACCGGC ACTTCGCTGCCGGTGGACAACGCCTTCGCCGACACCACGCCCAAGGGCACCATCCAGTGC CAGTTCTGGGGCCTCGGCGCCGACGGCACTGTGGGCGCCAACAAGCAGGCCATCAAGATC ATCGGCGACAACACGGACCTGTTTGCCCAGGGTTACTTCTCCTACGACTCCAAGAAATCG GGCGGCATCACCATCTCGCACCTGCGCTTCGGCGAGAAGCCCATCCAGTCCACCTACCTG GTCAACAGGGCCGACTATGTCGCCTGTCACAACCCGGCCTACGTGGGCATATACGACATC CTCGAAGGCATCAAGGATGGCGGAACCTTCGTGCTCAACTCGCCTTGGAGCAGCCTCGAG GACATGGACAAGCACCTGCCCTCCGGCATCAAGCGCACCATCGCGAACAAGAAGCTCAAG TTCTACAACATCGACGCGGTGAAAATCGCCACCGATGTGGGACTGGGCGGCCGCATCAAC ATGATCATGCAGACGGCCTTCTTCAAGCTGGCCGGAGTGCTGCCCTTCGAAAAGGCCGTG GATCTGCTCAAGAAGTCCATCCACAAGGCCTACGGCAAAAAGGGCGAGAAGATCGTCAAG ATGAACACCGACGCCGTGGACCAGGCCGTCACCTCCCTGCAGGAATTCAAGTATCCGGAT TCCTGGAAGGACGCTCCCGCTGAGACCAAGGCCGAGCCCATGACGAACGAGTTCTTCAAG AACGTCGTCAAGCCCATCCTGACCCAGCAGGGCGACAAGCTGCCGGTGAGCGCCTTCGAG GCCGACGGCCGTTTCCCCCTCGGCACCAGCCAGTTCGAGAAGCGCGGCGTGGCCATCAAC GTGCCGCAGTGGGTCCCCGAGAACTGCATCCAGTGCAACCAGTGCGCCTTCGTCTGTCCG CACAGCGCCATCCTGCCCGTGCTGGCCAAGGAAGAGGAGTTGGTCGGCGCGCCGGCGAAC TTCACGGCCCTGGAAGCCAAGGGCAAGGAGCTCAAGGGCTACAAGTTCCGCATCCAGATC AACACCCTGGACTGCATGGGCTGCGGCAACTGCGCCGACATCTGTCCGCCCAAGGAAAAG GCTCTGGTCATGCAGCCCCTGGATACCCAGCGCGACGCGCAGGTGCCCAACCTGGAGTAC GCAGCGCGCATCCCGGTCAAATCCGAGGTGCTGCCGCGCGACTCGCTCAAGGGCAGCCAG TTCCAGGAGCCTCTCATGGAATTCTCGGGCGCCTGCTCGGGCTGCGGCGAGACGCCCTAC GTGCGCGTCATCACCCAGCTCTTCGGCGAGCGCATGTTCATTGCCAACGCCACGGGTTGC TCGTCCATCTGGGGCGCGTCGGCTCCTTCCATGCCTTACAAGACCAACCGCCTCGGACAA GGCCCGGCCTGGGGTAACTCCCTGTTCGAAGACGCGGCCGAATACGGCTTCGGCATGAAC ATGTCCATGTTCGCCCGCCGCACGCATTTGGCCGATCTTGCCGCCAAGGCCCTGGAGAGC GATGCCTCCGGCGATGTCAAGGAAGCCCTGCAGGGCTGGCTTGCCGGCAAGAACGATCCC ATCAAGTCCAAGGAATACGGCGACAAGCTCAAGAAGCTGCTGGCTGGTCAGAAGGATGGT CTGCTCGGACAGATCGCCGCCATGTCCGACCTGTACACCAAGAAGAGCGTGTGGATCTTC GGTGGCGACGGCTGGGCCTACGACATCGGTTACGGCGGCCTGGACCATGTGCTCGCCTCG GGCGAGGACGTGAACGTCTTCGTCATGGATACCGAGGTCTACTCCAACACCGGCGGCCAG TCCTCCAAGGCAACGCCCACGGGCGCCGTGGCCAAGTTCGCGGCGGCCGGCAAGCGTACC GGCAAGAAGGACCTGGCGCGCATGGTCATGACCTACGGCTACGTCTACGTGGCTACGGTC TCCATGGGTTACAGCAAGCAGCAGTTCCTCAAGGTGCTCAAGGAAGCCGAAAGCTTCCCC GGCCCCTCGCTGGTCATCGCCTATGCTACCTGCATCAACCAGGGTCTGCGCAAGGGCATG GGCAAGAGCCAGGACGTCATGAACACCGCGGTCAAGTCCGGTTACTGGCCGCTGTTCCGC TACGATCCGCGCTTGGCCGCCCAGGGCAAGAACCCCTTCCAGCTCGACTCCAAGGCTCCT GACGGTTCCGTCGAGGAGTTCCTGATGGCCCAGAACCGCTTCGCCGTCCTCGATCGGTCC TTCCCCGAGGACGCCAAGAGACTGCGCGCCCAGGTCGCTCACGAATTGGACGTGCGTTTC AAGGAGTTGGAGCACATGGCCGCCACGAACATCTTCGAGTCCTTCGCGCCAGCGGGCGGC AAGGCCGATGGTTCGGTGGATTTCGGCGAAGGTGCGGAGTTCTGCACGCGCGACGATACT CCCATGATGGCCCGACCTGATTCCGGTGAGGCCTGCGACCAGAACCGCGCTGGCACGAGC GAACAGCAGGGAGACCTCAGCAAGCGGACGAAGAAGTAG PF00037 Fer4 PF02775 TPP_enzyme_C PF01558 POR PF01855 POR_N function catalytic activity function vitamin binding function oxidoreductase activity, acting on the aldehyde or oxo group of donors function oxidoreductase activity function thiamin pyrophosphate binding function ion binding function cation binding function transition metal ion binding function iron ion binding function transporter activity function binding function electron transporter activity process electron transport process metabolism process cellular metabolism process physiological process process generation of precursor metabolites and energy "
owl:sameAs	?:EXPT01790
rdfs:label	"2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide"
rdf:type	ns1:drugs

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

The resource does not appear as an object

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