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M3013

β-Methylcrotonyl coenzyme A lithium salt

≥90%

Synonym(s):

trans-3-Methyl-2-butenoyl Coenzyme A

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About This Item

Empirical Formula (Hill Notation):
C26H42N7O17P3S
CAS Number:
108347-83-7
Molecular Weight:
849.63
NACRES:
NA.51
PubChem Substance ID:
24896611
UNSPSC Code:
41106305
MDL number:
MFCD00079431
Assay:
≥90%
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Quality Segment

200

assay

≥90%

storage temp.

−20°C

SMILES string

[Li].C\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/C26H42N7O17P3S.Li.H/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33;;/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41);;

InChI key

LTOKXDRORBIJJG-UHFFFAOYSA-N

Application

Coenzyme A functions as an acyl group carrier, acetyl-CoA. β-Methylcrotonyl coenzyme A is used as a substrate to study the specificity and kinetics of β-methylcrotonyl-coenzyme A carboxylase (MCCase).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

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