3-Hydroxyisopentyl coenzyme A

Molecular Formula: C₂₆H₄₈N₇O₁₇P₃S

InChI: InChI=1/C26H48N7O17P3S/c1-25(2,20(36)23(37)29-7-5-16(34)28-8-10-54-9-6-26(3,4)38)12-47-53(44,45)50-52(42,43)46-11-15-19(49-51(39,40)41)18(35)24(48-15)33-14-32-17-21(27)30-13-31-22(17)33/h13-16,18-20,24,28,34-36,38H,5-12H2,1-4H3,(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,16?,18-,19-,20?,24-/m1/s1/f/h29,39-40,42,44H,27H2

InChIKey: InChIKey=ZVWVJUUZOLMMLD-GYJILZOYDJ
SMILES: CC(C)(CCSCCNC(CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O)O

Names:
    C05997
    3-Hydroxyisopentyl coenzyme A
    3-Hydroxyisopentyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[[3-hydroxy-3-[2-(3-hydroxy-3-methyl-butyl)sulfanylethylamino]propyl]carbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 440870
    PubChem ID 8271