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/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/f/h29-30,36,42-43,45,47H,28H2

InChIKey: InChIKey=GXKSHRDAHFLWPN-MWMAZIQACD
SMILES: CC(=CC(=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)CC(=O)O

Names:
    trans-3-methylglutaconyl-CoA
    TRANS-3-METHYL-GLUTACONYL-COA
    3-Methylglutaconyl-CoA
    4-[2-[3-[[4-[[[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-3-enoic acid

Registries:
    PubChem CID 1142
    PubChem ID 3230