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)-2-hydroxy-N-{2-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid
描述
3-hydroxybutyryl-coa is a member of the class of compounds known as (s)-3-hydroxyacyl coas (s)-3-hydroxyacyl coas are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative. Thus, 3-hydroxybutyryl-coa is considered to be a fatty ester lipid molecule. 3-hydroxybutyryl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 3-hydroxybutyryl-coa can be found in a number of food items such as agar, garland chrysanthemum, kelp, and oval-leaf huckleberry, which makes 3-hydroxybutyryl-coa a potential biomarker for the consumption of these food products. 3-hydroxybutyryl-coa may be a unique E.coli metabolite.
InChI标识符
InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1