Synonym
Decanoyl-coenzyme A; Coenzyme A, S-decanoate; Decanoyl coenzyme A; Coenzyme A, decanoyl-; Decanoyl-coa;
IUPAC/Chemical Name
S-(2-(3-((R)-4-(((R)-(((R)-(((2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) decanethioate
InChi Key
CNKJPHSEFDPYDB-GNLRSHMTSA-N
InChi Code
InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24+,25-,26+,30-/m1/s1
SMILES Code
CCCCCCCCCC(SCCNC(CCNC([C@H](O)C(C)(C)CO[P@@](O)(O[P@](O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@@H]1OP(O)(O)=O)=O)=O)=O)=O)=O
Purity
>90% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
921.79
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1. Gregersen, N., Kølvraa, S., and Mortensen, P.B. Acyl-CoA: Glycine N-acyltransferase: In vitro studies on the glycine conjugation of straight- and branched-chained acyl-CoA esters in human liver. Biochem. Med. Metab. Biol. 35(2), 210-218 (1986).
2. Lai, J.C., Lian, B.B., Zhai, S., et al. Brain mitochondrial citrate synthase and glutamate dehydrogenase: Differential inhibition by fatty acyl coenzyme A derivatives. Metab. Brain Dis. 9(2), 143-152 (1994).
3. DiRusso, C.C., Heimert, T.L., and Metzger, A.K. Characterization of FadR, a global transcriptional regulator of fatty acid metabolism in Escherichia coli. Interaction with the fadB promoter is prevented by long chain fatty acyl coenzyme A. J. Biol. Chem. 267(12), 8685-8691 (1992).
4. Ren, Y., and Schulz, H. Metabolic functions of the two pathways of oleate β-oxidation double bond metabolism during the β-oxidation of oleic acid in rat heart mitochondria. J. Biol. Chem. 278(1), 111-116 (2003).
