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CAS 1264-45-5

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Methylmalonyl-CoA

Description:
Methylmalonyl-CoA is a crucial biochemical compound involved in various metabolic pathways, particularly in the metabolism of certain amino acids and fatty acids. It is a derivative of Coenzyme A and plays a significant role in the conversion of propionate to succinyl-CoA, which is essential for energy production and the synthesis of certain biomolecules. The compound is characterized by its structure, which includes a methylmalonyl group attached to CoA, making it a key intermediate in the metabolism of branched-chain amino acids and odd-chain fatty acids. Methylmalonyl-CoA is also involved in the regulation of metabolic processes and can influence the activity of various enzymes. Its accumulation can indicate metabolic disorders, such as methylmalonic acidemia, where the body cannot properly process certain fats and proteins. The compound is typically found in the mitochondria of cells and is vital for maintaining metabolic homeostasis. Overall, methylmalonyl-CoA is an important player in cellular metabolism, linking various biochemical pathways and contributing to energy production.
Formula:C25H40N7O19P3S
InChI:InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1
InChI key:InChIKey=MZFOKIKEPGUZEN-FBMOWMAESA-N
SMILES:O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(C(C(O)=O)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:
  • Coenzyme A, S-(hydrogen methylmalonate)
  • Coenzyme A, S-(hydrogen 2-methylpropanedioate)
  • Coenzyme A, S-(hydrogen methylpropanedioate)
  • Isosuccinyl coenzyme A
  • Methylthiomalonic acid S-ester with coenzyme A
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