{"ymdb_id":"YMDB16242","created_at":"2016-09-12T18:27:23.000Z","updated_at":"2016-10-17T22:34:43.000Z","name":"Docosanoyl-CoA","cas":null,"state":"Solid","melting_point":null,"description":null,"experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(docosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid","traditional_iupac":"[5-(6-aminopurin-9-yl)-2-{[({3-[(2-{[2-(docosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid","logp":"3.2657213688520415","pka":"1.900120734776186","alogps_solubility":"1.68e-01 g/l","alogps_logp":"3.88","alogps_logs":"-3.81","acceptor_count":"17","donor_count":"9","rotatable_bond_count":"40","polar_surface_area":"363.63","refractivity":"264.2539","polarizability":"114.62644944911558","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"4.006053268556904","pka_strongest_acidic":"0.8209787813398175","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[{"name":"Biosynthesis of unsaturated fatty acids","kegg_map_id":"01040"},{"name":"Biosynthesis of unsaturated fatty acids (docosanoyl)","kegg_map_id":null},{"name":"Biosynthesis of unsaturated fatty acids (tetracosanoyl-CoA)","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-24T21:48:56.000Z","updated_at":"2011-07-22T17:54:52.000Z","name":"Elongation of fatty acids protein 1","uniprot_id":"P39540","uniprot_name":"ELO1_YEAST","enzyme":true,"transporter":false,"gene_name":"ELO1","num_residues":310,"molecular_weight":"36233.60156","theoretical_pi":"9.69","general_function":"Involved in fatty acid elongase activity","specific_function":"May be a membrane bound enzyme involved in the highly specific elongation of saturated 14-carbon fatty acids (14:0) to 16-carbon species (16:0)","reactions":[{"id":1499,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1501,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1503,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2385,"direction":"\u003e","locations":"Membrane; Multi-pass membrane protein (Potential); Multi-pass membrane protein; Multi-pass membrane protein (Probable)","altext":"Acyl-CoA + malonyl-CoA = 3-oxoacyl-CoA + CoA + CO(2).","export":false,"pw_reaction_id":null,"source":null},{"id":3865,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006386","source":"Smpdb"},{"id":3866,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006396","source":"Smpdb"},{"id":3867,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006400","source":"Smpdb"},{"id":3868,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006392","source":"Smpdb"},{"id":3869,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006404","source":"Smpdb"},{"id":3870,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006412","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"64-84;101-121;187-207;235-255;272-292","pdb_id":null,"cellular_location":"Membrane; Multi-pass membrane protein (Potential)","genbank_gene_id":"X77688","genbank_protein_id":"547599","gene_card_id":"ELO1","chromosome_location":"chromosome 10","locus":"YJL196C","synonyms":[],"enzyme_classes":[],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" membrane part"},{"category":"Component","description":" intrinsic to membrane"},{"category":"Component","description":" integral to membrane"},{"category":"Function","description":" Not Available"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"ELO","identifier":"PF01151"}],"pathways":[{"name":"Biosynthesis of unsaturated fatty acids","kegg_map_id":"01040"}],"gene_sequence":"ATGGTAAGTGATTGGAAAAATTTTTGCCTCGAGAAAGCCTCTAGGTTTCGCCCAACAATAGATAGGCCTTTTTTTAATATTTATTTGTGGGACTATTTCAATCGTGCGGTTGGGTGGGCCACTGCAGGTCGCTTCCAGCCAAAGGATTTTGAGTTTACCGTTGGGAAGCAGCCTTTGAGTGAACCTCGTCCGGTACTGCTTTTTATTGCCATGTATTATGTGGTTATATTTGGCGGGAGGTCCCTGGTAAAGTCATGTAAACCTCTCAAGTTGAGATTTATTTCTCAAGTCCATAACTTGATGTTGACTTCTGTTTCCTTTTTATGGTTGATTTTGATGGTGGAACAGATGCTACCCATAGTGTATCGCCATGGGCTGTATTTTGCTGTTTGTAATGTTGAATCGTGGACGCAACCGATGGAGACATTATATTATCTCAACTATATGACAAAGTTTGTGGAGTTCGCAGACACTGTCTTGATGGTGTTGAAACATAGAAAGTTGACTTTCCTACATACATACCATCATGGTGCTACAGCTTTACTGTGCTATAATCAATTGGTTGGTTACACAGCAGTTACATGGGTTCCTGTCACCTTAAACTTAGCTGTTCACGTTCTTATGTATTGGTATTATTTCCTTTCTGCTAGCGGAATTCGTGTTTGGTGGAAAGCCTGGGTTACAAGACTACAAATTGTGCAGTTCATGCTTGATCTCATTGTCGTTTATTACGTGCTTTATCAGAAGATTGTTGCTGCATATTTCAAAAATGCTTGTACTCCACAGTGTGAGGATTGCTTAGGTTCAATGACGGCTATTGCTGCTGGTGCAGCCATTCTTACATCCTACTTGTTTTTGTTCATCTCTTTCTATATTGAGGTTTACAAACGTGGAAGTGCTAGTGGTAAGAAGAAGATCAACAAAAACAATTAA","protein_sequence":"MVSDWKNFCLEKASRFRPTIDRPFFNIYLWDYFNRAVGWATAGRFQPKDFEFTVGKQPLSEPRPVLLFIAMYYVVIFGGRSLVKSCKPLKLRFISQVHNLMLTSVSFLWLILMVEQMLPIVYRHGLYFAVCNVESWTQPMETLYYLNYMTKFVEFADTVLMVLKHRKLTFLHTYHHGATALLCYNQLVGYTAVTWVPVTLNLAVHVLMYWYYFLSASGIRVWWKAWVTRLQIVQFMLDLIVVYYVLYQKIVAAYFKNACTPQCEDCLGSMTAIAAGAAILTSYLFLFISFYIEVYKRGSASGKKKINKNN"},{"created_at":"2011-05-27T07:15:52.000Z","updated_at":"2011-05-27T15:01:27.000Z","name":"Enoyl-[acyl-carrier protein] reductase [NADPH, B-specific], mitochondrial","uniprot_id":"P38071","uniprot_name":"ETR1_YEAST","enzyme":true,"transporter":false,"gene_name":"ETR1","num_residues":380,"molecular_weight":"42066.5","theoretical_pi":"9.49","general_function":"Involved in zinc ion binding","specific_function":"Required for respiration and the maintenance of the mitochondrial compartment. May have a role in the mitochondrial synthesis of fatty acids","reactions":[{"id":2805,"direction":"\u003e","locations":"Mitochondrion matrix","altext":"Acyl-[acyl-carrier-protein] + NADP(+) = trans-2,3-dehydroacyl-[acyl-carrier-protein] + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":2806,"direction":"\u003e","locations":" Multi-pass membrane protein.;Mitochondrion matrix;Endoplasmic reticulum membrane","altext":"Acyl-CoA + NADP(+) = trans-2,3-dehydroacyl-CoA + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":3883,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006390","source":"Smpdb"},{"id":3884,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006395","source":"Smpdb"},{"id":3885,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006399","source":"Smpdb"},{"id":3886,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006403","source":"Smpdb"},{"id":3887,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006407","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion matrix","genbank_gene_id":"AY557872","genbank_protein_id":"45269635","gene_card_id":"ETR1","chromosome_location":"chromosome 2","locus":"YBR026C","synonyms":["Mitochondrial respiratory function protein 1","Trans-2-enoyl-CoA reductase"],"enzyme_classes":["1.3.1.10","1.3.1.38"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" zinc ion binding"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[],"pathways":[{"name":"Fatty acid elongation in mitochondria","kegg_map_id":"00062"},{"name":"Biosynthesis of unsaturated fatty acids","kegg_map_id":"01040"}],"gene_sequence":"ATGCTTCCCACATTCAAACGTTACATGTCGTCCTCAGCTCATCAGATTCCCAAGCACTTCAAATCGCTCACCTATTCAACTCATGAAGTTGAGGATTGTACCAAGGTTTTGTCAGTGAAAAATTATACGCCTAAACAAGACTTATCTCAATCAATTGTGTTAAAAACTTTGGCCTTTCCCATAAACCCTTCGGATATCAATCAGTTGCAAGGAGTATACCCGTCTCGTCCAGAAAAGACATACGATTACTCCACAGATGAGCCAGCCGCTATCGCCGGTAATGAGGGTGTCTTTGAAGTTGTTTCTTTACCTTCGGGAAGTTCCAAGGGAGATTTGAAATTGGGTGACCGAGTTATCCCATTGCAGGCAAATCAAGGGACTTGGTCCAATTATAGAGTTTTCTCTAGTAGTTCTGATTTAATCAAGGTAAATGATTTGGATCTGTTTTCTGCGGCAACTGTATCTGTTAATGGTTGTACCGGTTTCCAATTAGTATCAGACTATATCGACTGGAACAGTAACGGTAATGAATGGATTATCCAAAATGCCGGTACATCTAGTGTATCAAAAATAGTTACGCAAGTAGCAAAAGCTAAAGGGATCAAAACATTAAGTGTTATACGTGACCGTGATAATTTTGATGAGGTAGCAAAAGTTTTGGAGGATAAGTATGGTGCTACGAAGGTTATTTCCGAATCGCAAAACAACGACAAGACTTTTGCCAAAGAAGTATTGTCCAAGATTTTGGGTGAAAATGCAAGGGTGAGGCTTGCCTTGAATTCTGTTGGAGGTAAATCCAGTGCATCAATAGCACGTAAGTTGGAAAATAATGCTTTGATGCTCACTTATGGAGGAATGTCAAAACAACCTGTAACTTTACCAACATCTCTACACATTTTCAAAGGCTTGACATCCAAAGGGTACTGGGTGACTGAAAAGAACAAAAAAAACCCCCAAAGCAAGATTGACACCATCAGTGATTTTATCAAAATGTATAATTATGGTCACATTATTTCACCAAGAGATGAAATTGAAACTCTTACCTGGAATACTAACACTACTACTGACGAACAGTTACTAGAACTAGTCAAAAAAGGTATAACTGGGAAGGGGAAGAAAAAAATGGTTGTTTTAGAATGGTAA","protein_sequence":"MLPTFKRYMSSSAHQIPKHFKSLIYSTHEVEDCTKVLSVKNYTPKQDLSQSIVLKTLAFPINPSDINQLQGVYPSRPEKTYDYSTDEPAAIAGNEGVFEVVSLPSGSSKGDLKLGDRVIPLQANQGTWSNYRVFSSSSDLIKVNDLDLFSAATVSVNGCTGFQLVSDYIDWNSNGNEWIIQNAGTSSVSKIVTQVAKAKGIKTLSVIRDRDNFDEVAKVLEDKYGATKVISESQNNDKTFAKEVLSKILGENARVRLALNSVGGKSSASIARKLENNALMLTYGGMSKQPVTLPTSLHIFKGLTSKGYWVTEKNKKNPQSKIDTISDFIKMYNYGHIISPRDEIETLTWNTNTTTDEQLLELVKKGITGKGKKKMVVLEW"},{"created_at":"2016-09-09T22:38:09.000Z","updated_at":"2016-09-09T22:38:09.000Z","name":"Ceramide synthase subunit LIP1","uniprot_id":"A6ZN14","uniprot_name":"LIP1","enzyme":false,"transporter":false,"gene_name":"LIP1","num_residues":null,"molecular_weight":"17206.535","theoretical_pi":null,"general_function":"lipid metabolic process","specific_function":"Component of the ceramide synthase complex required for synthesis of ceramides.","reactions":[{"id":3893,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006411","source":"Smpdb"},{"id":3894,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006414","source":"Smpdb"},{"id":3895,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006426","source":"Smpdb"},{"id":3896,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006514","source":"Smpdb"},{"id":3897,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006515","source":"Smpdb"}],"signal_regions":null,"transmembrane_regions":"21-40","pdb_id":null,"cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":null,"chromosome_location":null,"locus":null,"synonyms":[],"enzyme_classes":[],"go_classes":[{"category":"Function","description":"integral component of membrane"},{"category":"Function","description":"endoplasmic reticulum membrane"},{"category":"Function","description":"lipid metabolic process"}],"pfams":[],"pathways":[{"name":"Biosynthesis of unsaturated fatty acids","kegg_map_id":"01040"},{"name":"Biosynthesis of unsaturated fatty acids (docosanoyl)","kegg_map_id":null},{"name":"Biosynthesis of unsaturated fatty acids (icosanoyl)","kegg_map_id":null},{"name":"Biosynthesis of unsaturated fatty acids (stearoyl)","kegg_map_id":null},{"name":"Biosynthesis of unsaturated fatty acids (tetracosanoyl-CoA)","kegg_map_id":null}],"gene_sequence":null,"protein_sequence":"MSQPTPIITTKSAAKPKPKIFNLFRVCFISLLLIAAVEYFKYGTRINYEWFHCTPIKEPQSGSVIKLWARGGPSCDKRGEYKTIVKRITRDYEPNDEHLSFCIIENDNVPPVHYPIHEDKGEPGYVAYVGYDTDSELVQELCADSTIYHM"}]}