24-hydroxy-3-oxocholest-4-en-26-oyl-CoA
public_id
FDB030372
IUPAC 名称
[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl [(3-{[2-({2-[(6-{2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl}-3-hydroxy-2-methylheptanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropyl phosphonato)oxy]phosphonate
描述
24-hydroxy-3-oxocholest-4-en-26-oyl-coa is a member of the class of compounds known as 3-hydroxyacyl coas. 3-hydroxyacyl coas are organic compounds containing a 3-hydroxyl acylated coenzyme A derivative. 24-hydroxy-3-oxocholest-4-en-26-oyl-coa is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). 24-hydroxy-3-oxocholest-4-en-26-oyl-coa can be found in a number of food items such as abalone, gram bean, common walnut, and oyster mushroom, which makes 24-hydroxy-3-oxocholest-4-en-26-oyl-coa a potential biomarker for the consumption of these food products.
CAS号
异构
CC(CCC(O)C(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)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
InChI标识符
InChI=1S/C48H76N7O19P3S/c1-26(31-10-11-32-30-9-8-28-21-29(56)13-16-47(28,5)33(30)14-17-48(31,32)6)7-12-34(57)27(2)45(62)78-20-19-50-36(58)15-18-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-35-39(73-75(63,64)65)38(59)44(72-35)55-25-54-37-41(49)52-24-53-42(37)55/h21,24-27,30-35,38-40,44,57,59-60H,7-20,22-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-4
LPAPCIXIEIQRQA-UHFFFAOYSA-J
平均分子量
1175.383849614
id
30535
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