703885

Sigma-Aldrich

Octanoyl-2,4,6,8-13C4 Coenzyme A, lithium salt

99 atom % 13C, 95% (CP)

Synonym(s):
Octanoyl-2,4,6,8-13C4 coenzyme A, lithium salt, Capryloyl-2,4,6,8-13C4 coenzyme A, lithium salt
Empirical Formula (Hill Notation):
C2513C4H50N7O17P3S · xLi+
Molecular Weight:
897.70 (free acid basis)
PubChem Substance ID:

Note: This product can be packaged on demand. For information on pricing, availability and packaging of custom sizes, please contact Stable Isotopes Customer Service

isotopic purity

99 atom % 13C

assay

95% (CP)

mass shift

M+4

storage temp.

−20°C

SMILES string

Li+.Li+.Li+.CC(C)(COP(O-)(=O)OP(O-)(=O)OCC@H1OC@H(C@H(O)C@@H1OP(O)(O-)=O)n2cnc3c(N)ncnc23)C@@H(O)C(=O)NCCC(=O)NCCSC(=O)13CH2C13CH2C13CH2C13CH3

InChI

1S/C29H50N7O17P3S.3Li/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36;;;/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44);;;/q;3*+1/p-3/t18-,22-,23-,24+,28-;;;/m1.../s1/i1+1,5+1,7+1,9+1;;;

InChI key

TUTBZLHSPWATJF-AENIDCCJSA-K

Related Categories

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.

RIDADR

NONH for all modes of transport

WGK Germany

3

Certificate of Analysis
Certificate of Origin

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