3-Aminobutanoyl-CoA

Molecular Formula: C25H43N8O17P3S


InChI: InChI=1/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1/f/h28-29,39-40,42,44H,27H2

InChIKey: InChIKey=CCSDHAPTHIKZLY-YVQFDZQGDL
SMILES: CC(N)CC(=O)SCCNC(=O)CCNC(=O)[[email protected]](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[[email protected]]1O[[email protected]]([[email protected]](O)[[email protected]@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23

Names:
    CHEBI:28317
    3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminobutanoyl)sulfanyl]ethyl
    3-Aminobutanoyl-CoA
    3-aminobutanoyl-CoA
    [(2R,3S,4R,5R)-2-[[[[(3R)-3-[2-[2-(3-aminobutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966159
    ChEBI 28317
    Kegg C05117
    PubChem ID 17425017
    PubChem ID 7541