Methacrylyl-CoA

Methacrylyl-CoA
Identifiers
CAS Number	6008-91-9 ;
3D model (JSmol)	Interactive image;
ChemSpider	144985 ;
MeSH	methacrylyl-coenzyme+A
PubChem CID	165390;
	InChI InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1 Key: NPALUEYCDZWBOV-NDZSKPAWSA-N ;
	SMILES O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C(C)=C)=O)=O)=O)(O)=O)(O)=O)O[C@H]1N2C(N=CN=C3N)=C3N=C2;
Properties
Chemical formula	C25H40N7O17P3S
Molar mass	835.61 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	verify (what is ?)
	Infobox references

Methacrylyl-CoA is an intermediate in the metabolism of valine.

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Identifiers

CAS Number	6008-91-9^Y
3D model (JSmol)	Interactive image
ChemSpider	144985^N
MeSH	methacrylyl-coenzyme+A
PubChem CID	165390
InChI InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1^N Key: NPALUEYCDZWBOV-NDZSKPAWSA-N^N
SMILES O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C(C)=C)=O)=O)=O)(O)=O)(O)=O)O[C@H]1N2C(N=CN=C3N)=C3N=C2
Properties
Chemical formula	C₂₅H₄₀N₇O₁₇P₃S
Molar mass	835.61 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is ^YN ?)
Infobox references