5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium (Q27125900)

CHEBI:58592 (English)

6 October 2016

chemical formula

C₈H₁₃N₃O₇P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=C([N+](=CN1)C2C(C(C(O2)COP(=O)([O-])[O-])O)O)N

1 reference

CHEBI:58592 (English)

6 October 2016

isomeric SMILES

C1=C([N+](=CN1)C2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N

1 reference

CHEBI:58592 (English)

InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/p-1/t4-,6-,7-,8?/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:58592 (English)

PDACUKOKVHBVHJ-ZRTZXPPTSA-M

6 October 2016

InChIKey

2 references

CHEBI:58592 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5-Amino-1-(5-O-phosphonato-D-ribofuranosyl)-1H-imidazol-3-ium (English)

6 October 2016

1 reference

CHEBI:58592 (English)

6 October 2016

ChEBI ID

58592

mapping relation type

2 references

5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium (English)