(Q27139223)

7-Methylinosine (English)

7 October 2016

chemical formula

C₁₁H₁₅N₄O₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C=[N+](C2=C1C(=O)N=CN2)C3C(C(C(O3)CO)O)O

1 reference

7-Methylinosine (English)

7 October 2016

isomeric SMILES

CN1C=[N+](C2=C1C(=O)N=CN2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

1 reference

7-Methylinosine (English)

InChI=1S/C11H14N4O5/c1-14-4-15(9-6(14)10(19)13-3-12-9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/p+1/t5-,7-,8-,11-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

7-Methylinosine (English)

VJNXUFOTKNTNPG-IOSLPCCCSA-O

7 October 2016

InChIKey

2 references

7-Methylinosine (English)

CAS (formerly Chemical Abstracts Service)

7 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

20245-33-4

1 reference

stated in

25 January 2022

1 reference

7-Methyl-7-hydroinosine (English)

7 October 2016

1 reference

7-Methylinosine (English)

matched by identifier from

7 October 2016

135926583

1 reference

InChIKey

VJNXUFOTKNTNPG-IOSLPCCCSA-O

Reaxys registry number

4007745

1 reference

7-methylinosine (English)

7 October 2016

4157026

1 reference

7-methylinosine (English)

7 October 2016

ChEBI ID

70971

mapping relation type

2 references

7-methylinosine (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C11H14N4O5/c1-14-4-15(9-6(14)10(19)13-3-12-9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/p+1/t5-,7-,8-,11-/m1/s1

1 reference

CHEMBL1688965 (English)