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H2012

Sigma-Aldrich

Hexanoyl coenzyme A trilithium salt hydrate

≥85%

Synonym(s):

Caproyl Coenzyme A trilithium salt

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About This Item

Empirical Formula (Hill Notation):
C27H43Li3N7O17P3S · xH2O
CAS Number:
103476-19-3
Molecular Weight:
883.48 (anhydrous basis)
UNSPSC Code:
41106305
PubChem Substance ID:
24895496
NACRES:
NA.51

Quality Level

200

assay

≥85%

storage temp.

−20°C

SMILES string

[Li+].[Li+].[Li+].O.CCCCCC(=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/C27H46N7O17P3S.3Li.H2O/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34;;;;/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42);;;;1H2/q;3*+1;/p-3/t16-,20-,21-,22+,26-;;;;/m1..../s1

InChI key

YMMJFYLVSRICJX-ZTADYLHKSA-K

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Application

Hexanoyl coenzyme A trilithium salt hydrate may be used as a standard for liquid chromatography-tandem mass spectrometry (LC-MS/MS).

Biochem/physiol Actions

Coenzyme A functions as an acyl group carrier, acetyl-CoA. Hexanoyl CoA is involved in fatty acid oxidation, lipid biosynthesis, and ceramide formation. Ghrelin O-acyltransferase (GOAT) has a preference for n-hexanoyl-CoA over n-octanoyl-CoA as an acyl donor. Hexanoyl CoA is also used as a starter unit for polyketide biosynthesis.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Nobutaka Funa et al.
The Biochemical journal, 367(Pt 3), 781-789 (2002-07-26)
RppA, which belongs to the type III polyketide synthase family, catalyses the synthesis of 1,3,6,8-tetrahydroxynaphthalene (THN), which is the key intermediate of melanin biosynthesis in the bacterium Streptomyces griseus. The reaction of THN synthesis catalysed by RppA is unique in
LC-MS/MS-based analysis of coenzyme A and short-chain acyl-coenzyme A thioesters
Neubauer S, et al.
Analytical and Bioanalytical Chemistry, 407(22), 6681-6688 (2015)
Miao He et al.
The Journal of biological chemistry, 278(39), 37974-37986 (2003-07-12)
Rat and human short/branched chain acyl-CoA dehydrogenases exhibit key differences in substrate specificity despite an overall amino acid identity of 85% between them. Rat short/branched chain acyl-CoA dehydrogenases (SBCAD) are more active toward substrates with longer carbon side chains than
Hideko Ohgusu et al.
Biochemical and biophysical research communications, 386(1), 153-158 (2009-06-09)
Ghrelin is a peptide hormone in which serine 3 is modified by n-octanoic acid through GOAT (ghrelin O-acyltransferase). However, the enzymological properties of GOAT remain to be elucidated. We analyzed the in vitro activity of GOAT using the recombinant enzyme.
C M D Swarbrick et al.
Acta crystallographica. Section D, Biological crystallography, 71(Pt 4), 986-995 (2015-04-08)
Acyl-CoA thioesterases catalyse the hydrolysis of the thioester bonds present within a wide range of acyl-CoA substrates, releasing free CoASH and the corresponding fatty-acyl conjugate. The TesB-type thioesterases are members of the TE4 thioesterase family, one of 25 thioesterase enzyme

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