CAS 6247-73-0
:3-Methylglutaconyl CoA
Description:
3-Methylglutaconyl CoA is a biochemical compound that plays a significant role in metabolic pathways, particularly in the catabolism of certain amino acids and fatty acids. It is a derivative of coenzyme A, which is essential for various biochemical reactions, including the synthesis and oxidation of fatty acids. The structure of 3-Methylglutaconyl CoA features a methyl group attached to the glutaconyl moiety, influencing its reactivity and interaction with enzymes. This compound is involved in the metabolism of branched-chain amino acids and is important in the context of energy production and metabolic regulation. Its presence in metabolic pathways can be indicative of specific enzymatic activities and can be relevant in studies of metabolic disorders. As a coenzyme A derivative, it is typically found in cellular environments and participates in various enzymatic reactions, contributing to the overall metabolic flux within cells. Understanding its characteristics is crucial for researchers studying metabolic pathways and related diseases.
Formula:C27H42N7O19P3S
InChI:InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,20-,21-,22+,26-/m1/s1
InChI key:InChIKey=GXKSHRDAHFLWPN-BIEWRJSYSA-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(CC(O)=O)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:- Coenzyme A, S-3-methylglutaconate
- Coenzyme A, S-(5-hydrogen 3-methyl-2-pentenedioate)
- 3-Methylglutaconyl CoA
- Coenzyme A, S-ester with 3-methyl-1-thioglutaconic acid
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