(Q27121614)

7-Methylxanthosine (English)

6 October 2016

chemical formula

C₁₁H₁₅N₄O₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C=[N+](C2=C1C(=O)NC(=O)N2)C3C(C(C(O3)CO)O)O

1 reference

7-Methylxanthosine (English)

6 October 2016

isomeric SMILES

CN1C=[N+](C2=C1C(=O)NC(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

1 reference

7-Methylxanthosine (English)

InChI=1S/C11H14N4O6/c1-14-3-15(8-5(14)9(19)13-11(20)12-8)10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H-,12,13,19,20)/p+1/t4-,6-,7-,10-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

7-Methylxanthosine (English)

SYPRQIWERSQQNL-KQYNXXCUSA-O

6 October 2016

InChIKey

2 references

7-Methylxanthosine (English)

CAS (formerly Chemical Abstracts Service)

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

29885-96-9

1 reference

stated in

25 January 2022

1 reference

7-Methyl-2,3-dihydroxanthosine (English)

6 October 2016

1 reference

7-Methylxanthosine (English)

6 October 2016

Reaxys registry number

3713375

1 reference

7-methylxanthosine (English)

6 October 2016

ChEBI ID

49310

mapping relation type

1 reference

Human Metabolome Database ID

7-methylxanthosine (English)

6 October 2016

1 reference

HMDB0301918

1 reference

based on heuristic

inferred from InChIKey

1 reference

7-methylxanthosine (English)

6 October 2016

1 reference

7-methylxanthosine (English)