Mesaconyl-CoA is an -carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of mesaconic acid. It has a role as a human metabolite. It is functionally related to a mesaconic acid. It is a conjugate acid of a mesaconyl-CoA(5-).

Source: ChEBI

Identity
Molecular formula	C₂₆H₄₀N₇O₁₉P₃S
Molecular weight	879.6 g/mol
IUPAC name	(E)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxobut-2-enoic acid
InChIKey	LVBVWNJPMXCQJE-CBBDEUQJSA-N
SMILES	C/C(=C\C(=O)O)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

Synonyms: Mesaconyl-CoA, mesaconyl-coenzyme A, 2-methylfumaroyl-CoA, 2-methylfumaroyl-coenzyme A, Mesaconyl-C1-CoA, Mesaconyl Coenzme A, (E)-3-carboxy-2-methylprop-2-enoyl-CoA, orb3144938, 2-methylfumaroyl-CoA;2-methylfumaroyl-coenzyme A;mesaconyl-coenzyme A

Products 31104-67-3

Mesaconyl-CoA

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Products 31104-67-3

Mesaconyl-CoA

Isomers (same molecular formula)

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