tiglyl-CoA

[1. An intermediate in the degradation of l-isoleucine.

Molecular Formula: C₂₆H₄₂N₇O₁₇P₃S

InChI: InChI=1/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b14-5+/t15-,18-,19-,20?,24-/m1/s1/f/h28-29,39-40,42,44H,27H2

InChIKey: InChIKey=PMWATMXOQQZNBX-WAMHVONVDL
SMILES: CC=C(C)C(=O)SCCNC(=O)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

Names:
    C03345
    methylcrotonoyl-CoA
    methylcrotonyl-CoA
    tigloyl-CoA
    tiglyl-CoA
    trans-2-methylbut-2-enoyl-CoA
    (E)-2-Methylcrotonoyl-CoA
    2-methylbut-2-enoyl-CoA
    2-Methylcrotanoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(E)-2-methylbut-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 5280564
    PubChem ID 6188