4306 2-Methylacetoacetyl-CoA 2-Methylacetoacetyl-CoA belongs to the fatty acyl thioesters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 865.63 g/mol, 2-Methylacetoacetyl-CoA is a heavy molecule. This endogenous solid has the chemical formula C26H42N7O18P3S and is classified as a lipid-like molecule. 6712-01-2 53 C26H42N7O18P3S White powder. Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure. No indication of carcinogenicity to humans (not listed by IARC). This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation. 2014-08-29T06:07:16Z 2026-04-06T12:26:37Z C03344 15476 2-METHYL-ACETO-ACETYL-COA true CC(C(C)=O)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=C(N)N=CN=C12 C26H42N7O18P3S InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42) NHNODHRSCRALBF-UHFFFAOYSA-N 865.634 865.151987801 Endogenous Solid HMDB01157 52 CHEM003212 NS00123748 380.6999999999999 186.67770000000004 77.29639824548467 22 18 9 0.8209787813072467 4.006053226252164 -4 3 -0.10 -2.20 5.44e+00 g/l Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters 30 CED0019379 NHNODHRSCRALBF-UHFFFAOYSA-N 400400004040080000108000000028000000000000000000a4004000100000000000001000000000000000000210006000801000024000000000000003400020000800000000000440000400200000001020801000000100000000000000400000001000012000000000000100000000000000000900000020000800000000580040000040080000011000000000800080009082100000000000000014400000000000000000000000000000080000000000000000085010000100000004000001000008480004000000000000000000000000008000080808000000000000000000201000020000001040000000000440000002000004000000000400400000 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 776t3gAAAAAQAAAAAwAAAAAAAAA3AAAAOQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAKAAAAAMEBgBgAAAAAQMIACgAAAADAgYAKAAAAAMECAAoAAAAAwIQACAA AAACBgBgAAAAAgIGAGAAAAACAgcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIG AGAAAAACAgYAYAAAAAICBwBoAAAAAwIBBgAoAAAAAwQIACgAAAADAgYAYAAA AAMBCABgAAAAAQEGACAAAAAEBgBgAAAAAQMGAGAAAAABAwYAYAAAAAICCAAg AAAAAg8AIAAAAAUIAGAAAAABAQgAKAAAAAMCCAAgAAAAAg8AIAAAAAUIAGAA AAABAQgAKAAAAAMCCAAgAAAAAgYAYAAAAAICBgBgAAAAAwEIACAAAAACBgBg AAAAAwEGAGAAAAADAQgAYAAAAAEBBgBgAAAAAwEIACAAAAACDwAgAAAABQgA YAAAAAEBCABgAAAAAQEIACgAAAADAgdAKAAAAAMDBkBoAAAAAwMBB0AoAAAA AwMGQCgAAAADBAZAKAAAAAMEBwBoAAAAAwECB0AoAAAAAwMGQGgAAAADAwEH QCgAAAADAwZAKAAAAAMECwABAAECAAIDAAIECAIBBQAFBggCBQcABwgACAkA CQoACgsgCwwoAgsNAA0OAA4PAA8QIBARKAIQEgASEwASFAAUFQAUFgAUFwAX GAAYGQAZGgAZGwgCGRwAHB0AHR4AHR8IAh0gACAhACEiACIjACMkACQlACUm ACUnACcoACgpACkqACkrACksCAIkLQAtLmgMLi9oDC8waAwwMWgMMTIgMTNo DDM0aAw0NWgMNTZoDCciADYtaAw2MGgMQgMAAAAFIiMkJScFLi02MC8GMTM0 NTYwFwQAAAAAAAAAFg== 2026-09-19T04:01:11Z