IUPAC 名称
3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxodocosa-7,10,13,16,19-pentaenoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propyl ({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate
描述
3-oxo-docosapentaenoyl-coa is a member of the class of compounds known as very-long-chain 3-oxoacyl coas. Very-long-chain 3-oxoacyl coas are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 22 carbon atoms or more. 3-oxo-docosapentaenoyl-coa is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). 3-oxo-docosapentaenoyl-coa can be found in a number of food items such as ginger, loquat, pepper (c. frutescens), and oval-leaf huckleberry, which makes 3-oxo-docosapentaenoyl-coa a potential biomarker for the consumption of these food products.
InChI标识符
InChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4