{"ymdb_id":"YMDB00306","created_at":"2011-05-29T18:04:24.000Z","updated_at":"2016-09-08T18:35:19.000Z","name":"deamido-NAD(+)","cas":null,"state":null,"melting_point":null,"description":"Deamido-NAD(+) or nicotinate adenine dinucleotide is the precursor to NAD+ which is a coenzyme found in all living cells.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"mitochondrion;nucleus;cytoplasm","synthesis_reference":null,"chebi_id":"18304","hmdb_id":null,"kegg_id":"C00857","pubchem_id":"45266646","cs_id":"24785634","foodb_id":null,"wikipedia_link":null,"biocyc_id":"DEAMIDO-NAD","iupac":"1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1lambda5-pyridin-1-ylium","traditional_iupac":"1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1lambda5-pyridin-1-ylium","logp":"-9.090120671394176","pka":"2.67157044308834","alogps_solubility":"1.88e+00 g/l","alogps_logp":"-0.89","alogps_logs":"-2.57","acceptor_count":"16","donor_count":"8","rotatable_bond_count":"11","polar_surface_area":"312.47","refractivity":"140.17469999999992","polarizability":"58.093266199583226","formal_charge":"1","physiological_charge":"-2","pka_strongest_basic":"4.032732176587623","pka_strongest_acidic":"1.8026158196205277","bioavailability":"0","number_of_rings":"5","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["Deamido-NAD","deamido-nad+","Deamino-NAD+"],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"},{"name":"NAD metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"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":15078171,"citation":"Magni, G., Amici, A., Emanuelli, M., Orsomando, G., Raffaelli, N., Ruggieri, S. (2004). \"Structure and function of nicotinamide mononucleotide adenylyltransferase.\" Curr Med Chem 11:873-885."}],"proteins":[{"created_at":"2011-05-24T19:42:13.000Z","updated_at":"2011-05-27T14:55:58.000Z","name":"Glutamine-dependent NAD(+) synthetase","uniprot_id":"P38795","uniprot_name":"NADE_YEAST","enzyme":true,"transporter":false,"gene_name":"QNS1","num_residues":714,"molecular_weight":"80684.89844","theoretical_pi":"6.51","general_function":"Involved in NAD+ synthase (glutamine-hydrolyzing) activity","specific_function":"ATP + deamido-NAD(+) + L-glutamine + H(2)O = AMP + diphosphate + NAD(+) + L-glutamate","reactions":[{"id":1763,"direction":"\u003e","locations":"cytoplasm;nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2265,"direction":"\u003e","locations":"Cytoplasmic","altext":"ATP + deamido-NAD(+) + L-glutamine + H(2)O = AMP + diphosphate + NAD(+) + 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binding"},{"category":"Function","description":" transporter activity"},{"category":"Process","description":" transmembrane transport"},{"category":"Process","description":" establishment of localization"},{"category":"Process","description":" transport"}],"pfams":[{"name":"Mito_carr","identifier":"PF00153"}],"pathways":[],"gene_sequence":"ATGACACAGACTGATAATCCTGTCCCCAACTGCGGTTTACTGCCCGAGCAGCAGTATTGCTCTGCAGACCATGAAGAGCCACTGTTGTTGCATGAAGAACAATTGATATTCCCTGATCATTCCTCCCAACTGTCCTCAGCAGATATCATCGAGCCCATCAAGATGAACAGCAGTACTGAGTCAATTATAGGGACAACGCTGCGAAAGAAATGGGTACCACTATCCTCAACTCAGATCACAGCTCTTTCCGGCGCATTTGCTGGATTCTTATCAGGTGTGGCAGTATGTCCCCTCGATGTTGCCAAAACGCGATTGCAAGCACAAGGACTACAAACTAGGTTCGAGAACCCCTACTATAGGGGGATAATGGGGACATTAAGTACTATAGTAAGAGACGAAGGCCCGCGGGGCCTCTACAAAGGGCTGGTACCGATTGTCCTGGGCTACTTCCCAACCTGGATGATATACTTCTCCGTGTATGAATTCAGCAAAAAGTTCTTTCACGGCATCTTCCCACAGTTTGATTTTGTTGCTCAGTCATGTGCTGCAATCACGGCAGGCGCTGCATCTACCACCTTGACCAACCCAATCTGGGTTGTGAAGACAAGACTTATGCTGCAATCAAACCTCGGTGAGCACCCCACACATTACAAAGGCACTTTCGATGCATTCAGAAAGCTATTTTATCAGGAAGGGTTTAAAGCATTATATGCGGGGCTGGTCCCCTCATTATTAGGGCTATTTCATGTGGCTATCCATTTCCCTATATACGAAGATTTGAAGGTAAGATTTCACTGCTATTCTCGGGAGAACAACACCAACTCCATCAACTTGCAACGGTTGATCATGGCATCGTCCGTCTCTAAGATGATTGCATCAGCAGTAACATATCCGCACGAAATTTTACGAACCAGAATGCAACTGAAATCAGATATACCAGATTCCATTCAACGACGTCTGTTCCCCCTCATTAAAGCAACTTATGCACAAGAGGGACTAAAGGGATTTTATTCTGGATTTACTACTAACCTAGTACGAACCATTCCGGCCTCGGCAATCACTCTAGTGTCCTTTGAGTATTTCAGAAACCGCCTAGAAAATATTAGCACTATGGTAATTTAA","protein_sequence":"MTQTDNPVPNCGLLPEQQYCSADHEEPLLLHEEQLIFPDHSSQLSSADIIEPIKMNSSTESIIGTTLRKKWVPLSSTQITALSGAFAGFLSGVAVCPLDVAKTRLQAQGLQTRFENPYYRGIMGTLSTIVRDEGPRGLYKGLVPIVLGYFPTWMIYFSVYEFSKKFFHGIFPQFDFVAQSCAAITAGAASTTLTNPIWVVKTRLMLQSNLGEHPTHYKGTFDAFRKLFYQEGFKALYAGLVPSLLGLFHVAIHFPIYEDLKVRFHCYSRENNTNSINLQRLIMASSVSKMIASAVTYPHEILRTRMQLKSDIPDSIQRRLFPLIKATYAQEGLKGFYSGFTTNLVRTIPASAITLVSFEYFRNRLENISTMVI"},{"created_at":"2011-05-26T19:37:07.000Z","updated_at":"2011-05-29T14:08:02.000Z","name":"Nicotinamide-nucleotide 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deamido-NAD+","export":false,"pw_reaction_id":null,"source":null},{"id":4181,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006483","source":"Smpdb"},{"id":4182,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006491","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Nucleus","genbank_gene_id":"Z72795","genbank_protein_id":"1322971","gene_card_id":"NMA2","chromosome_location":"chromosome 7","locus":"YGR010W","synonyms":["NAD(+) diphosphorylase 2","NAD(+) pyrophosphorylase 2","NMN adenylyltransferase 2"],"enzyme_classes":["2.7.7.1","2.7.7.18"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" nucleotidyltransferase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" pyridine nucleotide biosynthetic process"},{"category":"Process","description":" nicotinamide nucleotide biosynthetic process"},{"category":"Process","description":" NAD biosynthetic process"}],"pfams":[{"name":"CTP_transf_2","identifier":"PF01467"}],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"},{"name":"NAD metabolism","kegg_map_id":null}],"gene_sequence":"ATGGATCCCACCAAAGCACCCGATTTTAAACCGCCACAGCCAAATGAAGAACTACAACCACCGCCAGATCCAACACATACGATACCAAAATCTGGACCCATAGTTCCATATGTTTTAGCTGATTATAATTCTTCGATCGATGCTCCTTTCAATCTCGACATTTACAAAACCCTGTCGTCAAGGAAAAAAAACGCCAACTCAAGCAACCGAATGGACCATATTCCATTAAATACTAGTGACTTCCAGCCACTATCTCGGGATGTATCATCGGAGGAGGAAAGTGAAGGGCAATCGAATGGAATTGACGCTACTCTACAGGATGTTACGATGACTGGGAATTTGGGGGTACTGAAGAGCCAAATTGCTGATTTGGAAGAAGTTCCTCACACAATTGTAAGACAAGCCAGAACTATTGAAGATTACGAATTTCCTGTACACAGATTGACGAAAAAGTTACAAGATCCTGAAAAACTGCCTCTGATCATCGTTGCTTGTGGATCATTTTCTCCCATAACATACCTACATTTGAGAATGTTTGAAATGGCTTTAGATGATATCAATGAGCAAACGCGTTTTGAAGTGGTTGGTGGTTATTTTTCTCCAGTAAGTGATAACTATCAAAAGCGAGGGTTAGCCCCAGCTTATCATCGTGTCCGCATGTGCGAATTAGCATGCGAGCGGACATCATCTTGGTTAATGGTTGATGCCTGGGAATCTTTACAATCAAGTTATACAAGGACAGCAAAAGTCTTGGACCATTTCAATCATGAAATAAATATCAAGAGAGGTGGAATCATGACTGTAGATGGTGAAAAAATGGGCGTAAAAATCATGTTATTGGCAGGCGGTGATCTTATCGAATCCATGGGCGAGCCTCATGTGTGGGCTGATTCAGACCTGCACCATATTTTGGGTAATTATGGATGTTTGATCGTGGAAAGGACTGGTTCTGATGTTAGGTCCTTCTTGCTTTCCCATGATATCATGTATGAACACAGAAGAAATATCCTTATTATCAAACAACTTATTTACAATGATATTTCCTCTACGAAAGTGCGGCTTTTCATCAGACGTGGAATGTCAGTTCAATATCTTCTTCCAAACTCTGTCATCCGTTACATCCAAGAGTATAATCTATACATTAATCAAAGTGAACCGGTCAAGCAGGTCTTGGATAGCAAAGAGTGA","protein_sequence":"MDPTKAPDFKPPQPNEELQPPPDPTHTIPKSGPIVPYVLADYNSSIDAPFNLDIYKTLSSRKKNANSSNRMDHIPLNTSDFQPLSRDVSSEEESEGQSNGIDATLQDVTMTGNLGVLKSQIADLEEVPHTIVRQARTIEDYEFPVHRLTKKLQDPEKLPLIIVACGSFSPITYLHLRMFEMALDDINEQTRFEVVGGYFSPVSDNYQKRGLAPAYHRVRMCELACERTSSWLMVDAWESLQSSYTRTAKVLDHFNHEINIKRGGIMTVDGEKMGVKIMLLAGGDLIESMGEPHVWADSDLHHILGNYGCLIVERTGSDVRSFLLSHDIMYEHRRNILIIKQLIYNDISSTKVRLFIRRGMSVQYLLPNSVIRYIQEYNLYINQSEPVKQVLDSKE"},{"created_at":"2011-05-26T20:11:17.000Z","updated_at":"2011-05-27T15:01:08.000Z","name":"Nicotinamide-nucleotide adenylyltransferase 1","uniprot_id":"Q06178","uniprot_name":"NMA1_YEAST","enzyme":true,"transporter":false,"gene_name":"NMA1","num_residues":401,"molecular_weight":"45858.60156","theoretical_pi":"6.89","general_function":"Involved in nucleotidyltransferase activity","specific_function":"ATP + nicotinamide ribonucleotide = diphosphate + NAD(+)","reactions":[{"id":1778,"direction":"\u003c\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1779,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2581,"direction":"\u003e","locations":"Nucleus","altext":"ATP + nicotinamide ribonucleotide = diphosphate + 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groups"},{"category":"Function","description":" nucleotidyltransferase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" pyridine nucleotide biosynthetic process"},{"category":"Process","description":" nicotinamide nucleotide biosynthetic process"},{"category":"Process","description":" NAD biosynthetic process"}],"pfams":[{"name":"CTP_transf_2","identifier":"PF01467"}],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"},{"name":"NAD metabolism","kegg_map_id":null}],"gene_sequence":"ATGGATCCCACAAGAGCTCCGGATTTCAAACCGCCATCTGCAGACGAGGAATTGATTCCTCCACCCGACCCGGAATCTAAAATTCCCAAATCTATTCCAATTATTCCATACGTCTTAGCCGATGCGAATTCCTCTATAGATGCACCTTTTAATATTAAGAGGAAGAAAAAGCATCCTAAGCATCATCATCACCATCATCACAGTCGTAAAGAAGGCAATGATAAAAAACATCAGCATATTCCATTGAACCAAGACGACTTTCAACCACTTTCCGCAGAAGTGTCTTCCGAAGATGATGACGCGGATTTTAGATCCAAGGAGAGATACGGTTCAGATTCAACCACAGAATCAGAAACTAGAGGTGTTCAGAAATATCAGATTGCTGATTTAGAAGAAGTTCCACATGGAATCGTTCGTCAAGCAAGAACCTTGGAAGACTACGAATTCCCCTCACACAGATTATCGAAAAAATTACTGGATCCAAATAAACTGCCGTTAGTAATAGTAGCATGTGGGTCTTTTTCACCAATCACCTACTTGCATCTAAGAATGTTTGAAATGGCTTTAGATGCAATCTCTGAACAAACAAGGTTTGAAGTCATAGGTGGATATTACTCCCCTGTTAGTGATAACTATCAAAAGCAAGGCTTGGCCCCATCCTACCATAGAGTACGTATGTGTGAATTGGCCTGCGAAAGAACCTCATCTTGGTTGATGGTGGATGCATGGGAGTCATTGCAACCTTCATACACAAGAACTGCCAAGGTCTTGGATCATTTCAATCACGAAATCAATATTAAGAGAGGTGGTGTAGCTACTGTTACTGGAGAAAAAATTGGTGTGAAAATAATGTTGCTGGCTGGTGGTGACCTAATAGAGTCAATGGGTGAACCAAACGTTTGGGCGGACGCCGATTTACATCACATTCTCGGTAATTACGGTTGTTTGATTGTCGAACGTACTGGTTCTGATGTAAGGTCTTTTTTGTTATCCCATGATATTATGTATGAACATAGAAGGAATATTCTTATCATCAAGCAACTCATCTATAATGATATTTCTTCCACGAAAGTTCGTCTATTTATCAGACGCGCCATGTCTGTACAATATTTGTTACCTAATTCGGTCATCAGGTATATCCAAGAACATAGACTATATGTGGACCAAACCGAACCTGTTAAGCAAGTTCTTGGAAACAAAGAATGA","protein_sequence":"MDPTRAPDFKPPSADEELIPPPDPESKIPKSIPIIPYVLADANSSIDAPFNIKRKKKHPKHHHHHHHSRKEGNDKKHQHIPLNQDDFQPLSAEVSSEDDDADFRSKERYGSDSTTESETRGVQKYQIADLEEVPHGIVRQARTLEDYEFPSHRLSKKLLDPNKLPLVIVACGSFSPITYLHLRMFEMALDAISEQTRFEVIGGYYSPVSDNYQKQGLAPSYHRVRMCELACERTSSWLMVDAWESLQPSYTRTAKVLDHFNHEINIKRGGVATVTGEKIGVKIMLLAGGDLIESMGEPNVWADADLHHILGNYGCLIVERTGSDVRSFLLSHDIMYEHRRNILIIKQLIYNDISSTKVRLFIRRAMSVQYLLPNSVIRYIQEHRLYVDQTEPVKQVLGNKE"}]}