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Key Documents

O6877

Sigma-Aldrich

Octanoyl coenzyme A lithium salt hydrate

≥95% (HPLC)

Synonym(s):

Capryloyl coenzyme A lithium salt hydrate

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About This Item

Empirical Formula (Hill Notation):
C29H50N7O17P3S · xLi+ · yH2O
CAS Number:
Molecular Weight:
893.73 (free acid basis)
UNSPSC Code:
41106305
PubChem Substance ID:
NACRES:
NA.51

biological source

synthetic (organic)

Quality Level

Assay

≥95% (HPLC)

form

powder

solubility

H2O: soluble-25 mg/mL, clear, colorless

storage temp.

−20°C

SMILES string

[Li+].[Li+].[Li+].O.CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)([O-])=O)n2cnc3c(N)ncnc23

InChI

1S/C29H50N7O17P3S.3Li.H2O/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);;;;1H2/q;3*+1;/p-3/t18-,22-,23-,24+,28-;;;;/m1..../s1

InChI key

VWXPWBSHKDXAFH-SMMZWZJBSA-K

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Application

Coenzyme A functions as an acyl group carrier, acetyl-CoA. Octanoyl coenzyme A is a donor molecule for the acylation (octanylation) of Ghrelin and other peptides by ghrelin O-acyltransferase(s) (GOAT).

Biochem/physiol Actions

Medium-chain fatty acid covalently linked to coenzyme A.

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

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