Product Name:
3-amino-3-oxopropanoyl-CoA
Other Names: 3-amino-3-oxopropanoyl-CoA
Other Names: 3-amino-3-oxopropanoyl-CoA
Structural Information
Molecular Formula | C24H35N8O18P3S-4 | Molecular Weight | 848.6 | ||
IUPAC Name | [(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-[2-(3-amino-3-oxopropanoyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] phosphate | ||||
InChIKey | KRWKKOAUSKOTIG-DVVLENMVSA-J | ||||
InChI | InChI=1S/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t12-,17-,18-,19+,23-/m1/s1 | ||||
SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)N)O |