gamma-butyrobetainyl-CoA
Molecular Formula:
C28H50N8O17P3S+
InChI: InChI=1/C28H49N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,39-40H,6-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p+1/fC28H50N8O17P3S/h30-31,42-43,45,47H,29H2/q+1
InChIKey: InChIKey=QAMRRBGWSPTAEJ-PEOFGWPBCT
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC[N+](C)(C)C)O
Names:
gamma-butyrobetaine-CoA
gamma-butyrobetainyl-CoA
3-[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]propyl-trimethyl-azanium
Registries:
PubChem CID 726
PubChem ID 2734
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