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C6146

Sigma-Aldrich

2-Butenoyl coenzyme A lithium salt

≥90% (HPLC)

Synonym(s):

2-Butenoyl CoA lithium salt, Crotonoyl Co A lithium salt, Crotonoyl coenzyme A lithium salt

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About This Item

Empirical Formula (Hill Notation):
C25H40N7O17P3S
CAS Number:
102680-35-3
Molecular Weight:
835.61
MDL number:
MFCD00167413
UNSPSC Code:
41106305
PubChem Substance ID:
24892840
NACRES:
NA.51

Quality Level

200

Assay

≥90% (HPLC)

form

powder

storage temp.

−20°C

SMILES string

[Li].C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n2cnc3c(N)ncnc23

InChI

1S/C25H40N7O17P3S.Li.H/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;/b5-4+;;

InChI key

OXXVXWRNRODUOD-SFKRKKMESA-N

Related Categories

Application

Crotonoyl coenzyme A (2-Butenoyl coenzyme A) may be used as a substrate of enzymes such as Plasmodium falciparum enoyl-ACP reductase and other enoyl-CoA reductases. Crotonoyl –CoA may be used as a substrate analogue for kinetic studies on β-hydroxyacyl-acyl carrier protein (ACP) dehydratase (FabZ).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Weizhi Liu et al.
Biochemical and biophysical research communications, 333(4), 1078-1086 (2005-06-22)
Helicobacter pylori is a gram-negative pathogenic bacterium that causes peptic ulcer disease and gastric cancer, and studies of the related potent enzymes associated with this bacterium are urgent for the discovery of novel drug targets. In bacteria, beta-hydroxyacyl-acyl carrier protein
Mili Kapoor et al.
The Biochemical journal, 381(Pt 3), 725-733 (2004-05-06)
The binding of enoyl-ACP (acyl-carrier protein) reductase from Plasmodium falciparum (PfENR) with its substrates and inhibitors has been analysed by SPR (surface plasmon resonance). The binding of the substrate analogue crotonoyl-CoA and coenzyme NADH to PfENR was monitored in real
Neha Kapoor et al.
IUBMB life, 61(11), 1083-1091 (2009-10-28)
A structure-based approach has been adopted to develop 2'-substituted analogs of triclosan. The Cl at position 2' in ring B of triclosan was chemically substituted with other functional groups like NH(2), NO(2) and their inhibitory potencies against PfENR were determined.
Sara Tucci et al.
FEBS letters, 581(8), 1561-1566 (2007-03-27)
An NADH-dependent trans-2-enoyl-CoA reductase (EC1.1.1.36) from the Gram negative spirochete Treponema denticola was identified, expressed and biochemically characterized. The recombinant protein is a monomeric enzyme with a molecular mass of 44 kDa with a specific activity of 43+/-4.8 U/mg (micromol

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