Products 6247-61-6

CAS 6247-61-6 is the registry number for 3-Butenyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

3-Butenyl-CoA
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Vinylacetyl-CoA is the S-vinylacetyl derivative of coenzyme A. It is functionally related to a coenzyme A. It is a conjugate acid of a vinylacetyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC25H40N7O17P3S
Molecular weight835.6 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] but-3-enethioate
InChIKeyUATIGEHITDTAGF-CITAKDKDSA-N
SMILESCC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC=C)O

Computed by PubChem (NCBI)

Synonyms: coenzyme A, vinylacetyl-, Vinylacetyl-coenzyme A, Vinylacetyl-CoA, but-3-enoyl-CoA, 3-Butenoyl-CoA, 3-Butenyl-CoA, orb3022302, but-3-enoyl-CoA; (Acyl-CoA); [M+H]+;
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] but-2-enethioate C25H40N7O17P3S
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] cyclopropanecarbothioate C25H40N7O17P3S
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] (E)-but-2-enethioate C25H40N7O17P3S
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-methylprop-2-enethioate C25H40N7O17P3S

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