CAS 1066-12-2: Coenzyme A, S-(2E)-2-dodecenoate

Description: Coenzyme A, S-(2E)-2-dodecenoate, commonly referred to as CoA dodecenoate, 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 of acetyl-CoA. This compound features a long-chain fatty acid moiety, specifically a dodecenoate group, which contributes to its hydrophobic characteristics. The presence of a double bond in the dodecenoate chain indicates that it is an unsaturated fatty acid, influencing its reactivity and interactions within biological systems. Coenzyme A itself is essential for the activation of acyl groups, facilitating their transfer in metabolic pathways. The structure of CoA dodecenoate allows it to participate in lipid metabolism and energy production, making it significant in cellular respiration and the synthesis of biomolecules. Its CAS number, 1066-12-2, is a unique identifier that aids in the cataloging and research of this compound in scientific literature and databases.

Formula: C₃₃H₅₆N₇O₁₇P₃S

InChI: InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1

InChI key: InChIKey=IRFYVBULXZMEDE-DEEZISNZSA-N

SMILES: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)C=CCCCCCCCCC

Synonyms:

• Coenzyme A, S-2-dodecenoate, (E)-
• trans-2-Dodecenoylcoenzyme A
• (2E)-Dodecenoyl-CoA
• Coenzyme A, S-(2E)-2-dodecenoate
• trans-Δ2,3-Dodecenoyl-CoA
• Coenzyme A, S-trans-2-dodecenoate

Coenzyme A,S-(2E)-2-dodecenoate

CAS: 1066-12-2

• Formula: C₃₃H₅₆N₇O₁₇P₃S
• Purity: 86.0%
• Molecular weight: 947.8207

2-trans-Dodecenoyl-Co A

CAS: 1066-12-2

• Formula: C₃₃H₅₆N₇O₁₇P₃S
• Purity: >86.0%(HPLC)
• Color and Shape: White to Almost white powder to crystaline
• Molecular weight: 947.82

2-Trans-dodecenoyl-CO A

CAS: 1066-12-2

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• Formula: C₃₃H₅₆N₇O₁₇P₃S
• Purity: Min. 95%
• Molecular weight: 947.8 g/mol