Tiglyl-CoA

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-CFXXRELHDX
SMILES: C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23

Names:
    Methylcrotonoyl-CoA
    Methylcrotonyl-CoA
    Tigloyl-CoA
    Tiglyl-CoA
    trans-2-Methylbut-2-enoyl-CoA
    (E)-2-Methylcrotonoyl-CoA
    (E)-2-methylcrotonoyl-CoA
    (E)-2-Methylcrotonoyl-CoA
    2-Methylbut-2-enoyl-CoA
    2-Methylcrotanoyl-CoA
    2-methylcrotanoyl-CoA
    2-Methylcrotanoyl-CoA
    2-methylcrotonoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-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 6443760
    ChEBI 15478
    Kegg C03345
    PubChem ID 11969106
    PubChem ID 6188