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C6146

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
NACRES:
NA.51
PubChem Substance ID:
24892840
UNSPSC Code:
41106305
MDL number:
MFCD00167413
Form:
powder
Assay:
≥90% (HPLC)
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Quality Segment

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

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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