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Tigloyl-CoA (Synonyms:tiglyl-coenzyme A;Coenzyme A, S-(2-methyl-2-butenoate)
Catalog No. : FM130 Purity : BR/95%以上 Brand : CHEMSOON Cas No. : 6247-62-7 PubChem Id : 6443760
2-methylcrotonoyl-CoA is a 2-enoyl-CoA and a monounsaturated fatty acyl-CoA. It is functionally related to a but-2-enoyl-CoA and a tiglic acid. It is a conjugate acid of a 2-methylcrotonoyl-CoA(4-).;Tiglyl-CoA is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).;2-methylcrotonoyl-CoA is a natural product found in Homo sapiens with data available.
Tigloyl-CoA
Cas No. : 6247-62-7
Specification No. Purity Package Inventory Price
FM130-2mg BR/95%以上 2mg
$1334.40
FM130-5mg BR/95%以上 5mg
$2780.00

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Product Name:Tigloyl-CoA
Other Names:tiglyl-coenzyme A;Coenzyme A, S-(2-methyl-2-butenoate
 CAS:6247-62-7
Structural Information
Molecular Formula C26H42N7O17P3S Molecular Weight 849.63
IUPAC Name  S-[2-[3-[[4-[[[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-2-methylbutanethioate
InChIKey  PEKYNTFSOBAABV-UHFFFAOYSA-N
InChI  InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)
SMILES  CC(C(C)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Product Pictures

 Light yellow crystalline

Description of properties
1) Recommended to dissolve and use directly
2) Store away from light in a -20 degree refrigerator
Spectral Information
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Literature

1.Elucidation of the Herbicidin Tailoring Pathway Offers Insights into Its Structural Diversity. Pan, Hai-Xue et al. Organic Letters, 21(5), 1374-1378; 2019

2.Stereospecificity of Enoylreductase Domains from Modular Polyketide Synthases. Zhang, Luyun et al. ACS Chemical Biology, 13(4), 871-875; 2018