{"ymdb_id":"YMDB00389","created_at":"2011-05-29T18:12:02.000Z","updated_at":"2016-09-08T18:35:26.000Z","name":"CDP-Ethanolamine","cas":"3036-18-8","state":"Solid","melting_point":"","description":"CDP-Ethanolamine is an intermediate in the phosphatidylethanolamine biosynthesis pathway. Phosphatidylethanolamine is a phospholipid, which are the major structural components of biological membranes. [Biocyc PWY4FS-6]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"16732","hmdb_id":"HMDB01564","kegg_id":"C00570","pubchem_id":"123727","cs_id":"110296","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CDP-ETHANOLAMINE","iupac":"(2-aminoethoxy)[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid","traditional_iupac":"2-aminoethoxy({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid","logp":"-4.126623927949734","pka":"2.5490577422693175","alogps_solubility":"1.32e+01 g/l","alogps_logp":"-1.71","alogps_logs":"-1.53","acceptor_count":"12","donor_count":"7","rotatable_bond_count":"9","polar_surface_area":"237.67999999999995","refractivity":"100.13519999999997","polarizability":"37.43584891825323","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"9.998799418056006","pka_strongest_acidic":"1.7663510536433256","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["cdp ethanolamine","CDP-ethanolamine","CDPethanolamine","cytidine diphosphate ethanolamine"],"pathways":[{"name":"Glycerophospholipid metabolism","kegg_map_id":"00564"},{"name":"Ether lipid metabolism","kegg_map_id":"00565"}],"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":10329685,"citation":"Kim, K., Kim, K. H., Storey, M. K., Voelker, D. R., Carman, G. M. (1999). \"Isolation and characterization of the Saccharomyces cerevisiae EKI1 gene encoding ethanolamine kinase.\" J Biol Chem 274:14857-14866."},{"pubmed_id":2848840,"citation":"Hjelmstad, R. H., Bell, R. M. (1988). \"The sn-1,2-diacylglycerol ethanolaminephosphotransferase activity of Saccharomyces cerevisiae. Isolation of mutants and cloning of the EPT1 gene.\" J Biol Chem 263:19748-19757."}],"proteins":[{"created_at":"2011-05-26T18:08:24.000Z","updated_at":"2011-07-22T17:54:26.000Z","name":"Choline/ethanolaminephosphotransferase 1","uniprot_id":"P22140","uniprot_name":"EPT1_YEAST","enzyme":true,"transporter":false,"gene_name":"EPT1","num_residues":391,"molecular_weight":"44559.30078","theoretical_pi":"6.5","general_function":"Involved in phosphotransferase activity, for other substituted phosphate groups","specific_function":"Involved in protein-dependent process of phospholipid transport to distribute phosphatidyl ethanolamine to the lumenal surface. The multiple transmembrane domains and lumenal hydrophilic domains of the ethanolaminephosphotransferase might participate in the transport process. EPT1 catalyzes both choline- and ethanolamine-phosphotransferase reactions","reactions":[{"id":1385,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2509,"direction":"\u003e","locations":"Microsome membrane; Multi-pass membrane protein. Endoplasmic reticulum membrane; Multi-pass membrane protein","altext":"CDP-ethanolamine + 1,2-diacylglycerol = CMP + a phosphatidylethanolamine.","export":false,"pw_reaction_id":null,"source":null},{"id":2507,"direction":"\u003e","locations":"Microsome membrane; Multi-pass membrane protein; Multi-pass membrane protein. Endoplasmic reticulum membrane","altext":"CDP-choline + 1,2-diacylglycerol = CMP + a phosphatidylcholine.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"49-69;175-195;216-236;263-283;289-309;319-339;347-367","pdb_id":null,"cellular_location":"Microsome membrane; Multi-pass membrane protein. Endoplasmic reticulum membrane; Multi-pass membrane protein","genbank_gene_id":"M59311","genbank_protein_id":"171465","gene_card_id":"EPT1","chromosome_location":"chromosome 8","locus":"YHR123W","synonyms":["ETHPT","Ethanolaminephosphotransferase 1"],"enzyme_classes":["2.7.8.1","2.7.8.2"],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" membrane"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" phosphotransferase activity, for other substituted phosphate groups"},{"category":"Process","description":" phospholipid metabolic process"},{"category":"Process","description":" phospholipid biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" organophosphate metabolic process"}],"pfams":[{"name":"CDP-OH_P_transf","identifier":"PF01066"}],"pathways":[{"name":"Glycerophospholipid metabolism","kegg_map_id":"00564"},{"name":"Ether lipid metabolism","kegg_map_id":"00565"}],"gene_sequence":"ATGGGATATTTTGTTCCGGATTCACATATCGAAAATCTAAAGTCATATAAATATCAAAGTGAAGACCGCTCGCTGGTATCGAAGTATTTCTTAAAGCCATTTTGGCAAAGATTTTGTCACATATTTCCCACGTGGATGGCGCCCAACATCATCACATTATCAGGATTTGCTTTTATAGTTATCAACGTGTTGACTGTATTCTATTACGATCCAAACCTTAACACAGATACGCCTCGCTGGACATATTTTTCTTACGCTTTAGGTGTATTCCTATATCAAACGTTCGTAGGAAGTGATGGTGTACACGCTCGCCGTATCAATCAATCAGGACCCTTAGGAGAACTATTCGATCATAGTATTGATGCCATTAATTCTACTCTGTCTATTTTCATCTTCGCATCCGAAACTGGAATGGGATTTTCGTATAACTTAATGTTATCCCAATTTGCGATGCTGACGAATTTTTACTTAAGTACTTGGGAAGAGTACCATACACACACATTATACTTAAGTGAGTTTTCTGGACCCGTGGAAGGCATCCTGATTGTTTGCGTTTCATTGATACTGACAGGTATATACGGAAAACAGGTAATCTGGCATACCTACTTATTTACAATTACAGTTGGTGATAAGGTAATTGATGTAGACACTCTAGATATTGTTTTTTCCCTAGCTGTTTTCGGTTTGGTTATGAACGCATTGTCTGCGAAAAGAAACGTGGATAAGTATTATAGAAACAGCACTTCTTCGGCCAACAATATCACGCAAATTGAGCAAGATAGTGCTATAAAAGGTCTTTTGCCCTTTTTTGCCTATTATGCAAGCATTGCTTTACTAGTGTGGATGCAACCAAGCTTTATTACACTCTCTTTCATCCTTTCCGTTGGTTTCACGGGAGCATTTACCGTCGGAAGAATAATCGTTTGCCATTTAACTAAGCAGAGCTTTCCCATGTTCAATGCACCCATGTTAATTCCTTTGTGCCAGATAGTATTGTACAAAATATGTCTATCCCTTTGGGGAATTGAGTCTAATAAAATCGTCTTTGCCCTATCTTGGCTTGGGTTCGGTCTCTCACTAGGTGTTCACATTATGTTTATGAATGACATTATCCATGAATTTACTGAGTACCTGGACGTTTATGCTTTATCCATCAAGCGCTCCAAGCTGACATAA","protein_sequence":"MGYFVPDSHIENLKSYKYQSEDRSLVSKYFLKPFWQRFCHIFPTWMAPNIITLSGFAFIVINVLTVFYYDPNLNTDTPRWTYFSYALGVFLYQTFDGCDGVHARRINQSGPLGELFDHSIDAINSTLSIFIFASETGMGFSYNLMLSQFAMLTNFYLSTWEEYHTHTLYLSEFSGPVEGILIVCVSLILTGIYGKQVIWHTYLFTITVGDKVIDVDTLDIVFSLAVFGLVMNALSAKRNVDKYYRNSTSSANNITQIEQDSAIKGLLPFFAYYASIALLVWMQPSFITLSFILSVGFTGAFTVGRIIVCHLTKQSFPMFNAPMLIPLCQIVLYKICLSLWGIESNKIVFALSWLGFGLSLGVHIMFMNDIIHEFTEYLDVYALSIKRSKLT"},{"created_at":"2011-05-27T02:14:42.000Z","updated_at":"2011-05-27T02:14:42.000Z","name":"Ethanolamine-phosphate cytidylyltransferase","uniprot_id":"P33412","uniprot_name":"ECT1_YEAST","enzyme":true,"transporter":false,"gene_name":"MUQ1","num_residues":323,"molecular_weight":"36862.60156","theoretical_pi":"6.44","general_function":"Involved in catalytic activity","specific_function":"CTP + ethanolamine phosphate = diphosphate + CDP-ethanolamine","reactions":[{"id":1860,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2665,"direction":"\u003e","locations":null,"altext":"CTP + ethanolamine phosphate = diphosphate + CDP-ethanolamine.","export":false,"pw_reaction_id":null,"source":null},{"id":14800,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006995","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY557830","genbank_protein_id":"45269551","gene_card_id":"MUQ1","chromosome_location":null,"locus":"YGR007W","synonyms":["CTP:phosphoethanolamine cytidylyltransferase","Phosphorylethanolamine transferase"],"enzyme_classes":["2.7.7.14"],"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":"Glycerophospholipid metabolism","kegg_map_id":"00564"}],"gene_sequence":"ATGACGGTAAACTTAGATCCGGATAAAGTTTGGATAGACGGCTGCTTTGATTTCACACATCATGGGCATGCGGGAGCCATTTTGCAGGCTCGTCGAACAGTTTCAAAAGAAAATGGTAAACTATTCTGTGGTGTGCATACCGATGAAGATATTCAGCATAACAAAGGAACACCAGTAATGAACTCTTCAGAAAGATATGAGCATACTAGATCAAATAGGTGGTGTTCGGAAGTGGTTGAAGCGGCGCCATATGTTACAGATCCCAATTGGATGGATAAATATCAGTGCCAATATGTTGTTCATGGTGATGATATCACCATAGATGCTAATGGAGAAGACTGCTATAAGTTGGTGAAAGAGATGGGGCGCTTCAAGGTAGTTAAAAGAACATATGGCGTAAGTACTACCGAGATTATACATAGAATATTGACGAAAAAATCTTTGCCACCGACTCATCCTGATTATTATCCCACCACCCAGGAATTGAGTTTCTATTCTGTCGCCCAAGATGCCGTTTCAAAACATTGTTATGTCTTTCAGAGGGATTTGGACAATGTCTTGGTCAATGGTGGATACAAATTCGATGCAGAAGATTGTGTTTATGTTGACGGGGATTTTGACTTATTCCATATGGGGGATATTGATCAGTTAAGAAAGCTGAAAATGGATCTTCACCCCGATAAGAAATTGATTGTTGGTATTACCACAAGCGATTACTCGAGTACCATTATGACGATGAAGGAACGCGTCTTGAGCGTTTTAAGTTGTAAATATGTTGATGCCGTTATTATCGATGCTGACGCCACCTCAATGTCTCAGTATAACTGCGAGAAGTATCATATTGGCACGGCTGTCCTCACTGCTGCCGGAAAATTCAGTGAATACTTGACTAAAGAGCTTATTGTGAAGAGGGTGGAATCGCAAAGGGAGGTTTACATTGCGAGGAACCAAAAAAAGGGAATGTCCATATAA","protein_sequence":"MTVNLDPDKVWIDGCFDFTHHGHAGAILQARRTVSKENGKLFCGVHTDEDIQHNKGTPVMNSSERYEHTRSNRWCSEVVEAAPYVTDPNWMDKYQCQYVVHGDDITIDANGEDCYKLVKEMGRFKVVKRTYGVSTTEIIHRILTKKSLPPTHPDYYPTTQELSFYSVAQDAVSKHCYVFQRDLDNVLVNGGYKFDAEDCVYVDGDFDLFHMGDIDQLRKLKMDLHPDKKLIVGITTSDYSSTIMTMKERVLSVLSCKYVDAVIIDADATSMSQYNCEKYHIGTAVLTAAGKFSEYLTKELIVKRVESQREVYIARNQKKGMSI"},{"created_at":"2016-09-09T22:51:49.000Z","updated_at":"2016-09-09T22:51:49.000Z","name":"Ethanolaminephosphotransferase 1","uniprot_id":"Q9C0D9","uniprot_name":null,"enzyme":false,"transporter":false,"gene_name":null,"num_residues":null,"molecular_weight":null,"theoretical_pi":null,"general_function":null,"specific_function":null,"reactions":[{"id":14475,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006985","source":"Smpdb"},{"id":14476,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006994","source":"Smpdb"}],"signal_regions":null,"transmembrane_regions":null,"pdb_id":null,"cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":null,"chromosome_location":null,"locus":null,"synonyms":["hEPT1","Selenoprotein I","SelI"],"enzyme_classes":[],"go_classes":[{"category":"Function","description":"metal ion binding"},{"category":"Function","description":"integral component of membrane"},{"category":"Function","description":"endoplasmic reticulum membrane"},{"category":"Function","description":"ethanolaminephosphotransferase activity"},{"category":"Function","description":"phosphatidylethanolamine biosynthetic process"},{"category":"Function","description":"positive regulation of protein targeting to mitochondrion"}],"pfams":[],"pathways":[{"name":"Ether lipid metabolism","kegg_map_id":"00565"},{"name":"Glycerophospholipid metabolism","kegg_map_id":"00564"}],"gene_sequence":null,"protein_sequence":null}]}