3-Ketopimelyl-CoA

Molecular Formula: C₂₈H₄₄N₇O₂₀P₃S

InChI: InChI=1/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23+,27-/m1/s1/f/h30-31,38,44-45,47,49H,29H2

InChIKey: InChIKey=KJXFOFKTZDJLMQ-QDEUWUJRDW
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)CCCC(O)=O

Names:
    CHEBI:15492
    3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-oxohexanoyl)sulfanyl]ethyl
    3-Ketopimelyl-CoA
    3-Oxopimeloyl-CoA
    3-oxopimeloyl-CoA
    3-Oxopimeloyl-CoA
    3-oxopimeloyl-CoA
    6-[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]-5-oxo-hexanoic acid

Registries:
    PubChem CID 9543029
    ChEBI 15492
    Kegg C06715
    PubChem ID 8143269
    PubChem ID 8939
    UM-BBD c0221