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Merck
CN

658650

Acetyl-1,2-13C2 coenzyme A lithium salt

99 atom % 13C, 95% (CP)

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About This Item

Empirical Formula (Hill Notation):
13C2C21H38N7O17P3S · xLi+
Molecular Weight:
811.56 (free acid basis)
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.12
Isotopic purity:
99 atom % 13C
Assay:
95% (CP)
Mass shift:
M+2
Form:
solid
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isotopic purity

99 atom % 13C

Quality Level

assay

95% (CP)

form

solid

mass shift

M+2

storage temp.

−20°C

SMILES string

[Li+].[Li+].[Li+].CC(C)(COP([O-])(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS[13C]([13CH3])=O

InChI

1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);;;/q;3*+1/p-3/i1+1,12+1;;;

InChI key

FTRFBNATWBKIQU-AMVXMALOSA-K

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Other Notes

Molecular weight and empirical formula based on the free acid.


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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Global Trade Item Number

SKUGTIN
658650-5MG04061841668725