3-oxooctadecanoyl-CoA is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxooctadecanoic acid. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is functionally related to a coenzyme A and a 3-oxooctadecanoic acid. It is a conjugate acid of a 3-oxooctadecanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formula	C₃₉H₆₈N₇O₁₈P₃S
Molecular weight	1048.0 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-oxooctadecanethioate
InChIKey	LGOGWHDPDVAUNY-LFZQUHGESA-N
SMILES	CCCCCCCCCCCCCCCC(=O)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

Computed by PubChem (NCBI)

Synonyms: 3-Oxooctadecanoyl-CoA, 3-Ketostearoyl-coa, 3-Oxostearoyl-CoA, beta-Ketostearoyl-CoA, 3-oxostearoyl-coenzyme A, 3-oxooctadecanoyl-coenzyme A, Coenzyme A, S-(3-oxooctadecanoate), 3-Ketostearoyl-CoA; (Acyl-CoA); [M+H]+;, orb3143602

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3-Ketostearoyl-CoA

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Isomers (same molecular formula)

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