IUPAC 名称
(4E)-6-[(2-{3-[(2R)-3-[({[({[(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)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-6-oxohex-4-enoic acid
描述
5-carboxy-2-pentenoyl-coa, also known as (E)-3,4-dehydroadipoyl-coa or 2,3-didehydroadipyl-coa, is a member of the class of compounds known as medium-chain 2-enoyl coas. Medium-chain 2-enoyl coas are organic compounds containing a coenzyme A substructure linked to a medium-chain 2-enoyl chain of 5 to 12 carbon atoms. Thus, 5-carboxy-2-pentenoyl-coa is considered to be a fatty ester lipid molecule. 5-carboxy-2-pentenoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-carboxy-2-pentenoyl-coa can be found in a number of food items such as citrus, swiss chard, agave, and safflower, which makes 5-carboxy-2-pentenoyl-coa a potential biomarker for the consumption of these food products. 5-carboxy-2-pentenoyl-coa exists in all living organisms, ranging from bacteria to humans.
InChI标识符
InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22+,26-/m1/s1