3-oxoadipyl-CoA

Molecular Formula: C₂₇H₄₂N₇O₂₀P₃S

InChI: InChI=1/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t15-,20-,21-,22+,26-/m1/s1/f/h29-30,37,43-44,46,48H,28H2

InChIKey: InChIKey=VKKKAAPGXHWXOO-VTGXGZCQDR
SMILES: CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(O)=O

Names:
    CHEBI:15490
    3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-oxopentanoyl)sulfanyl]ethyl
    3-oxoadipyl-CoA
    3-Oxoadipyl-CoA
    3-oxoadipyl-CoA
    3-Oxoadipyl-CoA
    3-oxoadipyl-CoA
    5-[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]-4-oxo-pentanoic acid

Registries:
    PubChem CID 9543153
    ChEBI 15490
    Kegg C02232
    PubChem ID 5296
    PubChem ID 8143271