3-hydroxy-5-oxohexanoyl-CoA is an oxo- and hydroxy fatty acyl-CoA whose S-acyl component is derived from 3-hydroxy-5-oxohexanoic acid. It has a role as a mouse metabolite. It is a hydroxy fatty acyl-CoA and an oxo-fatty acyl-CoA. It is functionally related to a hexanoyl-CoA and a 3-hydroxy-5-oxohexanoic acid.

Source: ChEBI

Identity
Molecular formula	C₂₇H₄₄N₇O₁₉P₃S
Molecular weight	895.7 g/mol
IUPAC name	S-[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]ethyl] 3-hydroxy-5-oxohexanethioate
InChIKey	LTOOEXBCTAXFSU-SNIDVWGTSA-N
SMILES	CC(=O)CC(CC(=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)O

Computed by PubChem (NCBI)

Synonyms: 3-Hydroxy-5-oxohexanoyl-CoA, 3-hydroxy-5-oxohexanoyl-coenzyme A, orb3022294, 3-Hydroxy-5-oxohexanoyl-CoA; (Acyl-CoA); [M+H]+;

Products 1245946-52-4

3-Hydroxy-5-oxohexanoyl-CoA

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Products 1245946-52-4

3-Hydroxy-5-oxohexanoyl-CoA

Isomers (same molecular formula)

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