Decanoyl-Coenzyme A (hydrate)

Decanoyl-coenzyme A (CoA) is a thioester of decanoic acid (Cay-20838) and CoA (Cay-16147, Cay-21499, Cay-21722). It inhibits the activity of citrate synthase (CS) and glutamate dehydrogenase (GDH) in mitochondria isolated from rat brain (IC50s = 437 and 420 µM, respectively). Decanoyl-CoA also binds the fatty acid metabolism regulator protein (FadR) promoter in E. coli (Ki = 2 µM). It is produced during isomerase-dependent beta-oxidation of oleic acid (Cay-90260, Cay-24659) in isolated rat heart mitochondria.Formal Name: S-decanoate coenzyme A, hydrate. Synonyms: Decanoyl-CoA. Molecular Formula: C31H54N7O17P3S . XH2O. Formula Weight: 921.8. Purity: >90%. Formulation: (Request formulation change), A solid. Solubility: Water: 20 mg/ml. SMILES: O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCCCCCC)=O)=O)=O)(O)=O)(O)=O)[C@H]1OP(O)(O)=O.O. InChi Code: InChI=1S/C31H54N7O17P3S.H2O/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),1H2/t20-,24-,25-,26+,30-,/m1./s1. InChi Key: IRILGPHKFKSRQN-ASEPKIFHSA-N.