2-Pentynoyl-Coenzyme A
[CAS# 98482-18-9]

Identification

• Name: 2-Pentynoyl-Coenzyme A
• Synonyms: 2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl Pent-2-Ynoate; Pent-2-Ynoic Acid [2-
• Molecular Formula: C₂₆H₄₀N₇O₁₈P₃S
• Molecular Weight: 863.62
• CAS Registry Number: 98482-18-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](O[P](OCC([C@@H](O)C(=O)NCCC(=O)NCCSOC(=O)C#CCC)(C)C)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C26H40N7O18P3S/c1-4-5-6-17(35)50-55-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-54(44,45)51-53(42,43)46-11-15-20(49-52(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,
• InChIKey: HTMHFORBLFDTTA-ZMHDXICWSA-N