N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) (Q27453290)

N-[3-(Propionylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) (English)

19 October 2016

chemical formula

C₁₆H₂₇N₆O₁₅P₃

1 reference

stated in

RCSB protein data bank

PDB ligand ID

2UJ

16 February 2021

canonical SMILES

CCC(=O)NCCCNC=1NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

1 reference

N-[3-(Propionylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) (English)

19 October 2016

isomeric SMILES

CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1

1 reference

stated in

RCSB protein data bank

PDB ligand ID

2UJ

InChI=1S/C16H27N6O15P3/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(35-15)6-34-39(30,31)37-40(32,33)36-38(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H,32,33)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1

16 February 2021

Identifiers

InChI

1 reference

N-[3-(Propionylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) (English)

KIAPQLNGDDMAAR-PMXXHBEXSA-N

19 October 2016

InChIKey

1 reference

N-[3-(Propionylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) (English)

19 October 2016

1 reference

N-[3-(Propionylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) (English)

19 October 2016

2 references

RCSB PDB - 2UJ Ligand Summary Page (English)

stated in

RCSB protein data bank

https://www.rcsb.org/ligand/2UJ

22 February 2021

reference URL

matched by identifier from

InChIKey

KIAPQLNGDDMAAR-PMXXHBEXSA-N

1 reference

0 references

1 reference

4PHG (English)