trans-3-methylglutaconyl-CoA

Molecular Formula: C₂₇H₄₂N₇O₁₉P₃S

InChI: InChI=1/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h8,12-13,15,20-22,26,39-40H,4-7,9-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-8+/t15-,20-,21-,22+,26-/m1/s1/f/h29-30,36,42-43,45,47H,28H2

InChIKey: InChIKey=ZMMFWDHIXCPOHZ-XUXJZAKLDV
SMILES: C\C(CC(=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)=C/C(O)=O

Names:
    CHEBI:15488
    trans-3-methylglutaconyl-CoA
    trans-3-Methylglutaconyl-CoA
    trans-3-methylglutaconyl-CoA
    trans-3-Methylglutaconyl-CoA
    trans-3-methylglutaconyl-CoA
    (E)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-3-methyl-but-2-enoic acid
    3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E)-4-carboxy-3-methylbut-3-enoyl]sulfanyl
    3-Methylglutaconyl-CoA
    3-methylglutaconyl-CoA
    3-Methylglutaconyl-CoA

Registries:
    PubChem CID 11966117
    ChEBI 15488
    Kegg C03231
    PubChem ID 6102
    PubChem ID 8143328