IUPAC 名称
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
描述
(e)-but-2-enoyl-coa, also known as crotonyl-coa, is a member of the class of compounds known as 2-enoyl coas. 2-enoyl coas are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. Thus, (e)-but-2-enoyl-coa is considered to be a fatty ester lipid molecule (e)-but-2-enoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). (e)-but-2-enoyl-coa can be found in a number of food items such as canola, lowbush blueberry, plains prickly pear, and lemon balm, which makes (e)-but-2-enoyl-coa a potential biomarker for the consumption of these food products.
InChI标识符
InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1