Malonska kiselina

Malonska kiselina je organsko jedinjenje, koje sadrži 3 atoma ugljenika i ima molekulsku masu od 104,062 Da.[6][7]

Malonska kiselina
Identifikacija
CAS registarski broj 141-82-2 DaY
PubChem[1][2] 867
ChemSpider[3] 844 DaY
DrugBank DB02175
KEGG[4] C00383
ChEBI 30794
ChEMBL[5] CHEMBL7942 DaY
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C3H4O4
Molarna masa 104.06 g mol−1
Tačka topljenja

135

 DaY (šta je ovo?)   (verifikuj)

Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Osobine uredi

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 2
Broj rotacionih veza 2
Particioni koeficijent[8] (ALogP) -0,4
Rastvorljivost[9] (logS, log(mol/L)) -0,2
Polarna površina[10] (PSA, Å2) 74,6

Patologija uredi

Kada su povišene razine malonske kiseline praćene sa povišenim razinama metilmalonske kiseline, to može upućivati na često neprepoznatu[11] metaboličku bolest kombiniranu malonsku i metilmalonsku aciduriju (CMAMMA). Računanjem omjera malonske kiseline i metilmalonske kiseline u krvnoj plazmi može se razlikovati CMAMMA od klasične metilmalonske acidemije.[12]

Reference uredi

  1. Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  4. Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H. 
  5. Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594.  edit
  6. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035-41. DOI:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.  edit
  7. David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Res 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.  edit
  8. Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o. 
  9. Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.  edit
  10. Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.  edit
  11. NIH Intramural Sequencing Center Group; Sloan, Jennifer L; Johnston, Jennifer J; Manoli, Irini; Chandler, Randy J; Krause, Caitlin; Carrillo-Carrasco, Nuria; Chandrasekaran, Suma D i dr.. (2011-09). „Exome sequencing identifies ACSF3 as a cause of combined malonic and methylmalonic aciduria” (en). Nature Genetics 43 (9): 883–886. DOI:10.1038/ng.908. ISSN 1061-4036. PMC PMC3163731. PMID 21841779. 
  12. de Sain-van der Velden, Monique G. M.; van der Ham, Maria; Jans, Judith J.; Visser, Gepke; Prinsen, Hubertus C. M. T.; Verhoeven-Duif, Nanda M.; van Gassen, Koen L. I.; van Hasselt, Peter M. (2016-02-27). „A New Approach for Fast Metabolic Diagnostics in CMAMMA”. JIMD Reports 30: 15–22. DOI:10.1007/8904_2016_531. ISSN 2192-8304. PMC 5110436. PMID 26915364. 

Literatura uredi

Spoljašnje veze uredi