{"ymdb_id":"YMDB00357","created_at":"2011-05-29T18:09:19.000Z","updated_at":"2016-09-08T18:35:23.000Z","name":"Dephospho-CoA","cas":"3633-59-8","state":"Solid","melting_point":null,"description":"3'-Dephospho-CoA is the coenzyme A (CoA) precursor in the last step of coenzyme A biosynthesis pathway. Coenzyme A is a cofactor of ubiquitous occurrence in plants, bacteria, and animals. It is needed in a large number of enzymatic reactions central to intermediary metabolism, including the oxidation of fatty acids, carbohydrates, and amino acids. [Biocyc COA-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"mitochondrion;lipid particle;endoplasmic reticulum;cytoplasm","synthesis_reference":null,"chebi_id":"15468","hmdb_id":"HMDB01373","kegg_id":"C00882","pubchem_id":"444485","cs_id":"388463","foodb_id":null,"wikipedia_link":null,"biocyc_id":"DEPHOSPHO-COA","iupac":"[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid","traditional_iupac":"{[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy)phosphinic acid","logp":"-5.9076537384858065","pka":"2.67370554197563","alogps_solubility":"2.56e+00 g/l","alogps_logp":"-0.98","alogps_logs":"-2.43","acceptor_count":"14","donor_count":"9","rotatable_bond_count":"16","polar_surface_area":"300.0299999999999","refractivity":"151.86729999999994","polarizability":"62.511555462818166","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"4.996844040758531","pka_strongest_acidic":"1.8645139120142344","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["3'-dephospho-CoA","3'-dephospho-Coenzyme A","3'-O-dephosphono-CoA","3'-O-dephosphono-Coenzyme A","Dephospho-CoA","Dephospho-Coenzyme A","dephosphocoenzyme a"],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"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."}],"proteins":[{"created_at":"2011-05-24T21:43:59.000Z","updated_at":"2011-05-27T15:00:58.000Z","name":"Dephospho-CoA kinase CAB5","uniprot_id":"Q03941","uniprot_name":"CAB5_YEAST","enzyme":true,"transporter":false,"gene_name":"CAB5","num_residues":241,"molecular_weight":"27339.5","theoretical_pi":"8.81","general_function":"Involved in dephospho-CoA kinase activity","specific_function":"Catalyzes the phosphorylation of the 3'-hydroxyl group of dephosphocoenzyme A to form coenzyme A","reactions":[{"id":2394,"direction":"\u003e","locations":"Endoplasmic reticulum. Mitochondrion. Nucleus.","altext":"ATP + 3'-dephospho-CoA = ADP + CoA.","export":false,"pw_reaction_id":null,"source":null},{"id":3771,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006293","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Endoplasmic reticulum. Mitochondrion. Nucleus.","genbank_gene_id":"AY557679","genbank_protein_id":"45269251","gene_card_id":"CAB5","chromosome_location":"chromosome 4","locus":"YDR196C","synonyms":["DPCK","Dephosphocoenzyme A kinase"],"enzyme_classes":["2.7.1.24"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" dephospho-CoA kinase activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" coenzyme A biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"}],"pfams":[{"name":"CoaE","identifier":"PF01121"}],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGCTGGTAGTGGGATTGACAGGTGGGATCGCTTGTGGTAAGAGCACAGTGTCGAGAAGACTCAGAGACAAATACAAACTACCCATTGTTGATGCGGACAAGATTGCTAGACAAGTGGTCGAACCAGGACAGAATGCTTATGATCAAATTGTGTTATACTTCAAGGACAAAATACCGAATTTATTATTGGAGGATGGGCATTTAAATCGTGAAGCCCTAGGGAAATGGGTTTTTAGTCATAAAGAAGATTTGCAAGCCTTGAATGGGATAACACATCCTGCAATCAGGTATGCAATGTTCAAAGAAATTGGCTACTATTACTTGAAGGGATATAGAATGTGTGTATTGGATGTGCCACTCTTATTTGAAGGAAATCTGGATTCAATATGCGGAGTGACTGTAAGCGTAATTTGTACGCAAGAATTGCAACTAGAAAGATTAATGACAAGAAATCCTGAACTTAGTGAAGAAGATGCAAAAAACAGGCTAAATAGTCAAATGAGCACTGAAGAAAGGATGGCAAGATCTGACTATATCCTACAAAATAACAGCACATTGGTTGACTTATACGAACAGATTGAAAGTGTTGTAAAAAAAATCCAACCTAGTAAATTAAGAACTGTTTTGGAGTATTTCCCACCTTTTGGGGCCGTAAGTGCCAGTAGCATCGTCATGTCCAGATTACTGATGAAAAAACTTCAAAATAAAAAGTCTTCAGCGGTATAA","protein_sequence":"MLVVGLTGGIACGKSTVSRRLRDKYKLPIVDADKIARQVVEPGQNAYDQIVLYFKDKIPNLLLEDGHLNREALGKWVFSHKEDLQALNGITHPAIRYAMFKEIGYYYLKGYRMCVLDVPLLFEGNLDSICGVTVSVICTQELQLERLMTRNPELSEEDAKNRLNSQMSTEERMARSDYILQNNSTLVDLYEQIESVVKKIQPSKLRTVLEYFPPFGAVSASSIVMSRLLMKKLQNKKSSAV"},{"created_at":"2011-05-26T21:07:36.000Z","updated_at":"2011-05-26T21:07:36.000Z","name":"Uncharacterized protein YGR277C","uniprot_id":"P53332","uniprot_name":"YG5T_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":305,"molecular_weight":"34306.30078","theoretical_pi":"6.28","general_function":"Involved in nucleotidyltransferase activity","specific_function":null,"reactions":[{"id":2604,"direction":"\u003e","locations":null,"altext":"ATP + pantetheine 4'-phosphate = diphosphate + 3'-dephospho-CoA.","export":false,"pw_reaction_id":null,"source":null},{"id":3770,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006292","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY692609","genbank_protein_id":"51012669","gene_card_id":null,"chromosome_location":null,"locus":"YGR277C","synonyms":[],"enzyme_classes":["2.7.7.3"],"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"}],"pfams":[{"name":"CTP_transf_2","identifier":"PF01467"}],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGGTTGAGGAAAATTCCAGAGTTTTGATTGTTCTTCCTTATACACCGCCTAGTGCTACTTTGCAGAGGATTATAGGGCAAACTATTCCGTTCTTAAGAGAATGTCAAAGTCAACTAGACATCGTGATTGTACCTGAATTCAAAACCTCATTCCAGTTGGATTCTGCGCTAGGGAAGATGTACAGTATTACCAGGGATGTCCTTTTGGGCTATGGAATGATCAACAGCGGAATCAACATCATATTCAACAATATTCATTTCGTCGAGAGTAATTTGCAATGGAAAGTGGTTTTATTGCCACAGGAATCCACTTTTGAAACTTGGAAGCTAGAGTTGGGACAAGGACAATACCATAGTATAGAACATTATGCATTACACGATAATATAATGGAAGAGATAGAAGGTCCCAAAGATGCTAACAAATTTCATGTCACCGCATTGGGCGGAACGTTCGACCACATTCACGATGGACATAAAATATTGTTGAGCGTCTCTACATTCATCACGTCACAAAGGTTAATTTGTGGAATTACGTGCGATGAGCTCTTGCAAAACAAGAAATACAAAGAGTTGATTGAACCTTATGATACACGATGCAGGCACGTACATCAATTCATCAAGTTGTTAAAACCGGATCTCTCCGTAGAACTAGTTCCCTTAAGGGACGTGTGCGGCCCCACAGGGAAAGTACCCGAGATAGAATGTTTAGTTGTGAGTAGAGAAACCGTCAGTGGGGCAGAGACTGTGAATAAGACTAGGATTGAAAAAGGCATGAGCCCATTGGCAGTACATGTGGTTAATGTACTTGGAGGAAGGGAGGAAGACGGCTGGAGCGAGAAGTTAAGCAGCACGGAAATCAGACGCCTACTTAAGTCCTCTGCTTCGCCAACGTGCACTCCACAAAACCCTTGCGTATAA","protein_sequence":"MVEENSRVLIVLPYTPPSATLQRIIGQTIPFLRECQSQLDIVIVPEFKTSFQLDSALGKMYSITRDVLLGYGMINSGINIIFNNIHFVESNLQWKVVLLPQESTFETWKLELGQGQYHSIEHYALHDNIMEEIEGPKDANKFHVTALGGTFDHIHDGHKILLSVSTFITSQRLICGITCDELLQNKKYKELIEPYDTRCRHVHQFIKLLKPDLSVELVPLRDVCGPTGKVPEIECLVVSRETVSGAETVNKTRIEKGMSPLAVHVVNVLGGREEDGWSEKLSSTEIRRLLKSSASPTCTPQNPCV"}]}