{"ymdb_id":"YMDB00967","created_at":"2011-06-03T16:16:18.000Z","updated_at":"2016-09-12T20:56:49.000Z","name":"ADP-D-ribose","cas":null,"state":"Solid","melting_point":null,"description":"Adenosine diphosphate ribose (ADP-D-ribose) is a molecule formed into chains by the enzyme poly ADP ribose polymerase. It binds to and activates the TRPM2 ion channel.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"16960","hmdb_id":null,"kegg_id":"C00301","pubchem_id":"49791950","cs_id":"30975","foodb_id":null,"wikipedia_link":"Adenosine_diphosphate_ribose","biocyc_id":"ADENOSINE_DIPHOSPHATE_RIBOSE","iupac":"{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid","traditional_iupac":"adp-D-ribose","logp":"-6.682939690657052","pka":"2.671027389204469","alogps_solubility":"3.61e+00 g/l","alogps_logp":"-1.80","alogps_logs":"-2.19","acceptor_count":"15","donor_count":"8","rotatable_bond_count":"9","polar_surface_area":"291.52","refractivity":"111.12329999999999","polarizability":"47.14119457056868","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"4.996693393052916","pka_strongest_acidic":"1.8574331410668954","bioavailability":"0","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["(Rib5)ppA","5-(adenosine 5'-pyrophosphoryl)-D-ribose","A5'pp5Rib","adenine-diphosphate-ribose","adenosine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribose","adenosine 5'-diphosphoribose","adenosine 5'-pyrophosphate, 5'-5-ester with D-ribofuranose","adenosine diphosphate ribose","AdoPPRib","ADP ribose","ADP-Rib","adp-ribose","ADP-riboses","ADPribose","D-ribofuranose, 5-5'-ester with adenosine 5'-(trihydrogen pyrophosphate)","ribose adenosinediphosphate"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."},{"pubmed_id":10542272,"citation":"Dunn, C. A., O'Handley, S. F., Frick, D. N., Bessman, M. J. (1999). \"Studies on the ADP-ribose pyrophosphatase subfamily of the nudix hydrolases and tentative identification of trgB, a gene associated with tellurite resistance.\" J Biol Chem 274:32318-32324."},{"pubmed_id":17482543,"citation":"Belenky, P., Racette, F. G., Bogan, K. L., McClure, J. M., Smith, J. S., Brenner, C. (2007). \"Nicotinamide riboside promotes Sir2 silencing and extends lifespan via Nrk and Urh1/Pnp1/Meu1 pathways to NAD+.\" Cell 129:473-484."}],"proteins":[{"created_at":"2011-05-26T19:13:08.000Z","updated_at":"2011-05-27T15:01:06.000Z","name":"ADP-ribose pyrophosphatase","uniprot_id":"Q01976","uniprot_name":"ADPP_YEAST","enzyme":true,"transporter":false,"gene_name":"YSA1","num_residues":231,"molecular_weight":"26086.80078","theoretical_pi":"6.3","general_function":"Involved in hydrolase activity","specific_function":"ADP-ribose + H(2)O = AMP + D-ribose 5- phosphate","reactions":[{"id":2562,"direction":"\u003e","locations":"Cytoplasmic","altext":"ADP-ribose + H(2)O = AMP + D-ribose 5-phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"AY558185","genbank_protein_id":"45270260","gene_card_id":"YSA1","chromosome_location":"chromosome 2","locus":"YBR111C","synonyms":["ADP-ribose diphosphatase","ADP-ribose phosphohydrolase","Adenosine diphosphoribose pyrophosphatase","ADPR-PPase"],"enzyme_classes":["3.6.1.13"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"NUDIX","identifier":"PF00293"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGTTTTTGAGAAACGTAAGAGTTATTTCCCTCAATTCAAGGAGACTATTTAGAACTATGAGCACCGTCAAGGGTAAACCAGAAGATGCTAAAATAATTGAAGCCCGTCACGTTAAAGAAACATCTGACTGCAAGTGGATCGGTTTACAAAAAATCATCTACAAAGATCCCAACGGGAAGGAAAGGGAATGGGATAGCGCAGTCCGCACCACTAGAAGTTCCGGTGGTGTAGACGGCATTGGTATCTTAACCATTCTAAAATACAAAGATGGAAAACCTGATGAAATTTTGCTACAAAAGCAGTTTCGCCCTCCCGTTGAGGGCGTATGCATTGAGATGCCAGCCGGTTTGATAGATGCGGGTGAAGATATTGACACTGCTGCCTTAAGAGAATTAAAAGAAGAGACTGGTTACAGTGGTAAAATAATTTCTAAAAGCCCAACAGTTTTTAACGATCCTGGTTTCACAAACACCAACCTCTGTCTGGTTACTGTCGAAGTTGATATGAGTTTACCTGAAAACCAAAAACCAGTTACTCAATTGGAAGATAATGAATTTATCGAATGCTTTAGCGTTGAGTTGCACAAGTTTCCTGATGAAATGGTTAAGTTGGATCAACAAGGCTACAAGTTGGATGCACGTGTTCAAAACGTAGCTCAAGGTATCCTCATGGCCAAGCAATACCACATCAAATAG","protein_sequence":"MFLRNVRVISLNSRRLFRTMSTVKGKPEDAKIIEARHVKETSDCKWIGLQKIIYKDPNGKEREWDSAVRTTRSSGGVDGIGILTILKYKDGKPDEILLQKQFRPPVEGVCIEMPAGLIDAGEDIDTAALRELKEETGYSGKIISKSPTVFNDPGFTNTNLCLVTVEVDMSLPENQKPVTQLEDNEFIECFSVELHKFPDEMVKLDQQGYKLDARVQNVAQGILMAKQYHIK"}]}