2-methylbutanoyl-CoA
public_id
FDB030348
IUPAC 名称
3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylbutanoyl)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
2-methylbutanoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 2-methylbutanoyl-coa can be found in a number of food items such as flaxseed, irish moss, chickpea, and black cabbage, which makes 2-methylbutanoyl-coa a potential biomarker for the consumption of these food products.
CAS号
异构
CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N
InChI标识符
InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4
LYNVNYDEQMMNMZ-UHFFFAOYSA-J
平均分子量
847.143619344
id
30511
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