{"ymdb_id":"YMDB01534","created_at":"2011-08-11T20:15:27.000Z","updated_at":"2016-10-18T17:12:04.000Z","name":"Hexadecanoylcarnitine","cas":"18877-64-0","state":"Solid","melting_point":null,"description":"Hexadecanoylcarnitine (palmitoylcarnitine) is a long-chain fatty acid ester of carnitine with palmitoleic acid. Carnitine is used for the transport of fatty acids during beta-oxidation, during what fatty acids are broken down to acetyl-CoA. Acetyl-CoA is then used in the glyoxylate cycle for gluconeogenesis and formation of carbohydrates, or transported to mitochondrion for the generation of metabolic energy through the citric acid cycle. [Biocyc PWY-6111]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"17490","hmdb_id":"HMDB00222","kegg_id":"C02990","pubchem_id":"11953816","cs_id":"10128117","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-419","iupac":"(3R)-3-(hexadecanoyloxy)-4-(trimethylazaniumyl)butanoate","traditional_iupac":"palmitoylcarnitine","logp":"2.033547854194921","pka":null,"alogps_solubility":"1.20e-05 g/l","alogps_logp":"1.77","alogps_logs":"-7.58","acceptor_count":"3","donor_count":"0","rotatable_bond_count":"20","polar_surface_area":"66.43","refractivity":"137.07670000000002","polarizability":"50.35273260304272","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.057186892022333","pka_strongest_acidic":"4.216763902737658","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(+)-Palmitoylcarnitine","(3R)-3-(Hexadecanoyloxy)-4-(trimethylazaniumyl)butanoate","(3R)-3-(Hexadecanoyloxy)-4-(trimethylazaniumyl)butanoic acid","(3R)-3-Palmitoyloxy-4-(trimethylammonio)butanoate","(3R)-3-Palmitoyloxy-4-(trimethylammonio)butanoic acid","(3S)-3-Hexadecanoyloxy-4-(trimethylammonio)butanoate","(3S)-3-Hexadecanoyloxy-4-(trimethylammonio)butanoic acid","(3S)-3-Palmitoyloxy-4-(trimethylammonio)butanoate","(3S)-3-Palmitoyloxy-4-(trimethylammonio)butanoic acid","3-Carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-1-propanaminium","D-Palmitylcarnitine","Hexadecanoyl-L-carnitine","Hexadecanoylcarnitine","Hexadecenoyl carnitine","L-Carnitine palmitoyl ester","L-Palmitoyl-L-carnitine","L-Palmitoylcarnitine","L(-)-Palmitylcarnitine","O-Hexadecanoyl-(R)-carnitine","O-Hexadecanoyl-R-carnitine","Palmitoyl D-carnitine","Palmitoyl-(-)-carnitine","Palmitoyl-L-carnitine","Palmityl-L-carnitine","Palmitylcarnitine"],"pathways":[{"name":"Fatty acid metabolism","kegg_map_id":"00071"}],"growth_conditions":[{"growth_media":"YEB media with 0.5 mM glucose","concentration":"0.4","concentration_units":"\u0026#181;M","error":"0.0"}],"references":[],"proteins":[{"created_at":"2011-05-24T21:27:14.000Z","updated_at":"2011-07-22T17:54:23.000Z","name":"Carnitine O-acetyltransferase, mitochondrial","uniprot_id":"P32796","uniprot_name":"CACP_YEAST","enzyme":true,"transporter":false,"gene_name":"CAT2","num_residues":670,"molecular_weight":"77241.20313","theoretical_pi":"8.4","general_function":"Involved in acyltransferase activity","specific_function":"Carnitine acetylase is specific for short chain fatty acids. Carnitine acetylase seems to affect the flux through the pyruvate dehydrogenase complex. It may be involved as well in the transport of acetyl-CoA into mitochondria","reactions":[{"id":1367,"direction":"\u003c\u003e","locations":"mitochondrion;peroxisome;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2388,"direction":"\u003e","locations":"Peroxisome. Mitochondrion inner membrane; Matrix side;Cytoplasm; Peripheral membrane protein; Intermembrane side;Mitochondrion inner membrane","altext":"Acetyl-CoA + carnitine = CoA + O-acetylcarnitine.","export":false,"pw_reaction_id":null,"source":null},{"id":14163,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006605","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Peroxisome. Mitochondrion inner membrane; Peripheral membrane protein; Matrix side","genbank_gene_id":"Z14021","genbank_protein_id":"3462","gene_card_id":"CAT2","chromosome_location":"chromosome 13","locus":"YML042W","synonyms":["Carnitine acetylase"],"enzyme_classes":["2.3.1.7"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring acyl groups"},{"category":"Function","description":" transferase activity, transferring acyl groups other than amino-acyl groups"},{"category":"Function","description":" acyltransferase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"Carn_acyltransf","identifier":"PF00755"}],"pathways":[{"name":"Fatty acid metabolism","kegg_map_id":"00071"}],"gene_sequence":"ATGAGGATCTGTCATTCGAGAACTCTCTCAAACTTAAAGGATCTTCCGATAACGTCAAGGAGAGCAATGCATTCGGCCATTGTCAATTACTCCACCCAAAAGGCCCAATTTCCCGTAGAGACAAATAATGGGGAACACTATTGGGCGGAAAAGCCGAACAAATTCTACCAGAACAAAAGGCCCAATTTTCAAGGCATTACCTTTGCTAAACAACAAGACTTACCATCATTACCCGTGCCCGAATTGAAGTCTACACTTGACAAGTATTTGCAAACCATCCGCCCATTTTGCAATGATGTAGAAACTTTTGAAAGACAGCAGCTGTTATGTAAGGACTTCTCGGAGCACATGGGGCCTATCTTACAAGACCGATTGAAAGAGTATGCCAACGATAAAAGAAACTGGATGGCCAAGTTTTGGGATGAACAATCCTATTTACAATACAACGATCCTATTGTTCCATACGTCTCTTATTTTTATTCTCATATGCCATTACCGAATCATTTATCGAAGATCGATAATGATCCTTTGATTAAGGCTACTGCGATTATCTCAACCGTGGTTAAATTCATCGAAGCTATTAAAGATGAATCTTTACCCGTAGAAATTATCAAAGGTATGCCATTTTGTATGAATAGTTTTTCATTGATGTTTAACACTTCGAGATTGCCTGGTAAGCCAGAGGATAACCAAGATACAAATATTTTTTATTCAGTTTATGAGAACAACTTTGTAACTATCGCTTATAAAGGGAAGTTTTACAAACTGATGACCCATGACGGGAATCACAAACCGCTTTCCGAAAACGAAATCTGGAGGCAACTGTACTCTGTGGTATTCCAAGGATCGCAGTCCGATCCCAAACTAGGTGGCATTGGTTCTCTCACCTCTTTACCTCGTGATCAATGGCGTGAAGTACATATGGAGCTTATGAAGGATCCTATTTCTCAGGATTCACTAGAAACAATCCATAAGTCTTCCTTTATGCTATGTTTGGATCTTGACCAATCCCCTGTCACTTTGGAAGAAAAGTCAAGAAATTGCTGGCACGGTGATGGTATTAACAGATTCTACGATAAGTCTTTACAGTTCCTAGTCACCGGTAATGGTTCATCAGGTTTCTTAGCTGAACACTCGAAGATGGATGGTACGCCAACATTGTTTTTAAATAACTACGTTTGTCAGCAGTTGAATAAACTAGATGTGGATGACTTCATGAGAAAAGTAATTACGCCATCATCTACGGTGGCAATGAAACCTATGGAACTGCCCTTCATTATCACACCGAAGATTCATAAAGCAATCGAATCTGCCCAACTACAATTTAAGGAAACAATTGGTGAGCATGACCTACGTGTTTGGCACTACAACAAATATGGAAAAACGTTTATAAAACGCCATGGCATGTCACCTGATGCATTTATTCAACAAGTTATCCAACTGGCGGTTTTCAAATATCTGAAACGACAACTACCAACTTACGAGGCTGCTTCCACGAGAAAATACTTCAAAGGCCGTACTGAAACTGGTAGATCTGTGTCCACCGCCTCCTTAGAATTTGTTTCTAAATGGCAAAATGGCGATGTTCCTATTGCAGAAAAGATTCAGGCTTTGAAACATTCTGCAAAAGAGCATTCGACGTACCTGAAAAATGCTGCAAATGGTAATGGTGTCGATCGTCATTTCTTCGGTCTAAAGAATATGCTAAAATCTAATGATGACCAAATTCCGCCCCTTTTCAAAGATCCCTTATTTAATTATTCTTCAACTTGGTTGATCTCCACATCTCAACTATCTTCGGAATATTTTGACGGTTATGGTTGGTCCCAAGTAAATGACAACGGGTTTGGACTGGCATACATGTTGAATAACGAGTGGCTGCATATCAATATTGTCAACAAACCAGCCAAGAGTGGAGCCAGTGTTAACAGATTACACTATTATTTATCTCAAGCTGCTGATGAAATTTTTGACGCCTTGGAAAATGAGAATAAACGAAAAGCAAAGTTATGA","protein_sequence":"MRICHSRTLSNLKDLPITSRRAMHSAIVNYSTQKAQFPVETNNGEHYWAEKPNKFYQNKRPNFQGITFAKQQDLPSLPVPELKSTLDKYLQTIRPFCNDVETFERQQLLCKDFSEHMGPILQDRLKEYANDKRNWMAKFWDEQSYLQYNDPIVPYVSYFYSHMPLPNHLSKIDNDPLIKATAIISTVVKFIEAIKDESLPVEIIKGMPFCMNSFSLMFNTSRLPGKPEDNQDTNIFYSVYENNFVTIAYKGKFYKLMTHDGNDKPLSENEIWRQLYSVVFQGSQSDPKLGGIGSLTSLPRDQWREVHLELMKDPISQDSLETIHKSSFMLCLDLDQSPVTLEEKSRNCWHGDGINRFYDKSLQFLVTGNGSSGFLAEHSKMDGTPTLFLNNYVCQQLNKLDVDDFMRKVITPSSTVAMKPMELPFIITPKIHKAIESAQLQFKETIGEHDLRVWHYNKYGKTFIKRHGMSPDAFIQQVIQLAVFKYLKRQLPTYEAASTRKYFKGRTETGRSVSTASLEFVSKWQNGDVPIAEKIQALKHSAKEHSTYLKNAANGNGVDRHFFGLKNMLKSNDDQIPPLFKDPLFNYSSTWLISTSQLSSEYFDGYGWSQVNDNGFGLAYMLNNEWLHINIVNKPAKSGASVNRLHYYLSQAADEIFDALENENKRKAKL"},{"created_at":"2011-05-26T16:13:31.000Z","updated_at":"2011-07-22T17:54:22.000Z","name":"Carnitine O-acetyltransferase YAT2","uniprot_id":"P40017","uniprot_name":"YAT2_YEAST","enzyme":true,"transporter":false,"gene_name":"YAT2","num_residues":923,"molecular_weight":"103333.0","theoretical_pi":"6.24","general_function":"Involved in acyltransferase activity","specific_function":"Involved in the shutteling of acetyl-CoA in the cell","reactions":[{"id":1367,"direction":"\u003c\u003e","locations":"mitochondrion;peroxisome;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2388,"direction":"\u003e","locations":"Peroxisome. Mitochondrion inner membrane; Matrix side;Cytoplasm; Peripheral membrane protein; Intermembrane side;Mitochondrion inner membrane","altext":"Acetyl-CoA + carnitine = CoA + O-acetylcarnitine.","export":false,"pw_reaction_id":null,"source":null},{"id":14163,"direction":"\u003c\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006605","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"U18778","genbank_protein_id":"603616","gene_card_id":"YAT2","chromosome_location":"chromosome 5","locus":"YER024W","synonyms":[],"enzyme_classes":["2.3.1.7"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring acyl groups"},{"category":"Function","description":" transferase activity, transferring acyl groups other than amino-acyl groups"},{"category":"Function","description":" acyltransferase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"Carn_acyltransf","identifier":"PF00755"}],"pathways":[{"name":"Fatty acid metabolism","kegg_map_id":"00071"}],"gene_sequence":"ATGTCAAGCGGCAGTACTATTGTTTCGTCTGACAAGTCGGGGCGAACATTTAAGCATGAGGAAGAACTACCCAAGTTACCATTACCTAAACTCTGTGACACTTTGCAGCGTCTGAAGGAGAGTTTAGAGCCATTGTATTATGCTGATGGTTACTATCAACATCCTTTAGATCCAGAACAAATTGAGAAGCTGTCATCCATAATAAGAGATTTTGAAGAGAATCCCGTAAGTGAGAAGCTGCAATCTAAACTACAGAGCTACCATGACACTAGGGATTGCTACCTTGATGAATTACACTTAGACATCAATAACCAGACCTCCACTAGGGAGATTCAGGACGATGTCCTACCCAGGAATCCCTTCTTGGTTCTCGCAGATGACGCTTTGCCAAACATCACTCAAGCTGATAGGTCAGCCGTCCTAGTGCACTCTGCGGCCAGGTTTATTTCTGCTTTGAAACAAGATTTGTTGCCACCAGATATCAATGCCACCAATGGCAAACCACTGTCAATGGCTCCATTTCTGAACTTGTTCGGTACTACTCGTAGTCCTGTTTTTCAGCGCGGTGAGGTTGAAAATTTTGATTTGAACAAACCTTACACAGCATCTGATTTAGAAGACCCTGATTATTCAAGCGATGAGGACGATAACGACGAACCCACCCAAAAAGACTTTGATGACCGTAAAAGAAAACACGAAGAAGACATATTCACTGGCAATGGTATAACTATAAAAAGACATCCGGATAGCAAACACATCTTGATCATCTCCAGGGGCCAATACTATACACTGGAAGTACTTGATTCGACGAATAAAATTATATACACTGCTGCAGAATTAACCACAATTTTCAACCATATAATAAAAGATTCTTCTGGCATTGAAAAATCAACTGCGTTAGGTAGTTTGACCTCTCACTCTTTTAGAAACTGGAAATATGCAAGGAAGAGACTACAGAAAAGGTATCCTAATGAATTACATCGCATAGACTCTGCTCTGTTCGTGTTAGTGCTGGACGAATCACAAGAAGAAACTACCAATGATGGCGATGATACCGCTGATATCAGTCAAATGTTTAACAGGACTATCACTGAGCGAGACAAGAAATGTACTTCCGCCAATTGTAAGAGAGTGTTTTACGGTACTTCTATAATAAATAGCAAAGGCCATCAAGTGGGTTCATGTGTTTCTCGTTGGTATGATAAATTACAGTTAGTTGTCACTGCAGATGCAAAAGCCACAGTGATTTGGGATTCCTTCACATGTGACGGGTCAGTCGTGCTTCGGTTTACTTCTGAAATTTATACAGAATCAGTCTTGAGATTAGCTAGAGACGTTAACGCCGGTGACCCACAGTTTTCACTCTGGCCTAACGTGACACAAATGGATCCTGAAACTAAAAAACTGATGACGGCGACCATAAGTGCCGACGGCGGAGGCCCTTCTGAAATTGACCCTAAGTTGGTTGTAAATAAAATCGATTGGTCTTTCAGTAACATCCTGAACACACATGTCCATTTGTCAGAAACCAAACTAGCTGATCTGATTTCCAAGTATGATATTGTTCGCGCTTCTATTCCATTGGGCAGAAGGTCAGCTCAAAGATTAGGAGTCAAGCCCGATTCGATGGTTCAAGTAGCTTTACAAATAGCTCACTATGCTTTGTATGGAAGAATGGTGTTTGGATTAGAACCAGTATCCACACGTGGTTTCAAAAACTCGAGATCATCTTTTATTAACATTCAAAGTCAAGCGCTGTTGGAACTATGTCAATTGTTTATTTCTAGCTCCATTGATGGGACAGATAAATTAGACAAATTTATCCAAACCTGCGAAACACATAATAACATGGTTAAACATGCAAAGTCTGGGGTAGGTTATGAAAAACACTTCAATGCATTGAAATATCTCTTCAAATTTCATGACCATTTTGGTATCCACTTAAGTGGTGATGAATCATCTGCTGCGAAAGATCTTTTCGAAAATCCACTTGTTTTACCTTTCTCACAGCCTGAGTTGATTGTTGCCAACTGTGGTAATGCTGCTACCACGACATTTGGTATAACTCCTGCTGTACCTCATGGCTTTGGAATAGGGTACATCATTAAAGATGATCAAGTAGATTTGACCGTGACATCGCAATTTCGACAGGGTGACAGGTTAATGTTTATGTTAAGTTGGGTGTTAGGCGAAATTCGTTCCTACTGGAGGATGTCACGCGGCACTTCTCATAATAAAACTGGCGTGAAGATCAGTCCAGTGGTCGATAAATTGTATGAAATGGACAATGCAGTCAATAATCCTCCGAAACGTAACGGCCATACAGTCAATGGCTCCCGCAAAACATCTTCTTCATCACAGGTAAATTTGAACAGGTATGGCGGGTTTTTCGATTTGGAAGGCCACATTGACAGTAGGAATATATCTAAAACACCATCGATGAAGAATTTGCAGAAAACCTTCAATGGCTTGACCATGAGCGCAGACAATGATCATTCAAGTTCCGCAGTTTCCGTTCCCACAGAAAAGGAAAAATTAAATACAGGCCATGAAATTTTACAGATCCAACCGCGGGAAGTGGCAAGTAATGGGTTGGAAGCAGATGATGAGACAGATATTGAAATAGTTGCTGGCAATGCTGATGGCACATCCTCTTCGGCATCTTCAGCTACATCTCTAAATTCCAAGAAACGTAACGTCATCAACTCAAGATTCGATATTGATTTTGACCGCAGTCGTGTGGGTAGAAAGGTGGCGACCTTAGATCAATAA","protein_sequence":"MSSGSTIVSSDKSGRTFKHEEELPKLPLPKLCDTLQRLKESLEPLYYADGYYQHPLDPEQIEKLSSIIRDFEENPVSEKLQSKLQSYHDTRDCYLDELHLDINNQTSTREIQDDVLPRNPFLVLADDALPNITQADRSAVLVHSAARFISALKQDLLPPDINATNGKPLSMAPFLNLFGTTRSPVFQRGEVENFDLNKPYTASDLEDPDYSSDEDDNDEPTQKDFDDRKRKHEEDIFTGNGITIKRHPDSKHILIISRGQYYTLEVLDSTNKIIYTAAELTTIFNHIIKDSSGIEKSTALGSLTSHSFRNWKYARKRLQKRYPNELHRIDSALFVLVLDESQEETTNDGDDTADISQMFNRTITERDKKCTSANCKRVFYGTSIINSKGHQVGSCVSRWYDKLQLVVTADAKATVIWDSFTCDGSVVLRFTSEIYTESVLRLARDVNAGDPQFSLWPNVTQMDPETKKLMTATISADGGGPSEIDPKLVVNKIDWSFSNILNTHVHLSETKLADLISKYDIVRASIPLGRRSAQRLGVKPDSMVQVALQIAHYALYGRMVFGLEPVSTRGFKNSRSSFINIQSQALLELCQLFISSSIDGTDKLDKFIQTCETHNNMVKHAKSGVGYEKHFNALKYLFKFHDHFGIHLSGDESSAAKDLFENPLVLPFSQPELIVANCGNAATTTFGITPAVPHGFGIGYIIKDDQVDLTVTSQFRQGDRLMFMLSWVLGEIRSYWRMSRGTSHNKTGVKISPVVDKLYEMDNAVNNPPKRNGHTVNGSRKTSSSSQVNLNRYGGFFDLEGHIDSRNISKTPSMKNLQKTFNGLTMSADNDHSSSAVSVPTEKEKLNTGHEILQIQPREVASNGLEADDETDIEIVAGNADGTSSSASSATSLNSKKRNVINSRFDIDFDRSRVGRKVATLDQ"}]}