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CAS 18907-20-5

:

Coenzyme A, S-(hydrogen heptanedioate)

Description:
Coenzyme A, S-(hydrogen heptanedioate), identified by CAS number 18907-20-5, is a derivative of coenzyme A, which plays a crucial role in various biochemical processes, particularly in the metabolism of fatty acids and the synthesis and oxidation of fatty acids. This compound features a reactive thiol group that allows it to form thioester bonds with acyl groups, facilitating the transfer of acyl groups in metabolic pathways. The heptanedioate moiety indicates the presence of a seven-carbon dicarboxylic acid, which contributes to its hydrophilicity and solubility in aqueous environments. Coenzyme A is essential for the activation of acyl groups, enabling their entry into metabolic cycles such as the citric acid cycle and fatty acid synthesis. Additionally, it is involved in the synthesis of important biomolecules, including steroid hormones and neurotransmitters. The compound's structure allows it to interact with various enzymes, making it a vital cofactor in cellular metabolism and energy production.
Formula:C28H46N7O19P3S
InChI:InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/m1/s1
InChI key:InChIKey=LYCRXMTYUZDUGA-UYRKPTJQSA-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(CCCCCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:
  • Pimeloyl-coenzyme A
  • Coenzyme A, S-(hydrogen heptanedioate)
  • Pimeloyl-coa
  • Pimelyl-CoA
  • Coenzyme A, S-(hydrogen heptanedioate)
  • Coenzyme A, S-(hydrogen pimelate)
  • (9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphapentacosan-25-oic acid 3,5-dioxide (non-preferred name)
  • Coenzyme A, pimeloyl-
  • Coenzyme A, S-pimelate
  • Pimelyl coenzyme A
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