Products 10018-94-7

CAS 10018-94-7 appears in our catalog under these names: S-(2E)-2-Octenoate coenzyme A, 2-trans-Octenoyl-CoA. Offered by: Biosynth, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, Get quote.

S-(2E)-2-Octenoate coenzyme A
Biosynth
  • size: 5mg, 1mg, 10mg
  • Variants: 3
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2-trans-Octenoyl-CoA
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Trans-oct-2-enoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-oct-2-enoic acid. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a monounsaturated fatty acyl-CoA, a trans-2-enoyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a coenzyme A. It is a conjugate acid of a trans-oct-2-enoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC29H48N7O17P3S
Molecular weight891.7 g/mol
IUPAC nameS-[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] (E)-oct-2-enethioate
InChIKeyCPSDNAXXKWVYIY-NTLMCJQISA-N
SMILESCCCCC/C=C/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: trans-Oct-2-enoyl-CoA, 2E-octenoyl-CoA, 2E-octenoyl-coenzyme A, oct-2-trans-enoyl-CoA, oct-trans-2-enoyl-CoA, (2E)-octenoyl-coenzyme A, trans-2-octenoyl-coenzyme A, trans-oct-2-enoyl-coenzyme A, 2,3-trans-octenoyl coenzyme A, trans-2-Octenoyl-CoA
Related forms of this compound
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] oct-2-enethioate C29H48N7O17P3S
Isomers (same molecular formula)
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] 2-propylpent-4-enethioate C29H48N7O17P3S
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] (Z)-oct-3-enethioate C29H48N7O17P3S