Methacrylyl-CoA (not stereospecified) (Q3066714)

9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(2-methyl-1-oxo-2-propen-1-yl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-o-phosphonopentofuranosyl]- (English)

retrieved

19 September 2016

canonical SMILES

CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

1 reference

A community-driven global reconstruction of human metabolism.

9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(2-methyl-1-oxo-2-propen-1-yl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-o-phosphonopentofuranosyl]- (English)

19 September 2016

1 reference

Identifiers

InChI

InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)

1 reference

NPALUEYCDZWBOV-UHFFFAOYSA-N

9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(2-methyl-1-oxo-2-propen-1-yl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-o-phosphonopentofuranosyl]- (English)

retrieved

19 September 2016

InChIKey

1 reference

9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(2-methyl-1-oxo-2-propen-1-yl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-o-phosphonopentofuranosyl]- (English)

19 September 2016

0 references

1 reference

9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(2-methyl-1-oxo-2-propen-1-yl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphonopent (English)

19 September 2016

1 reference

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-m (English)

19 September 2016

1 reference