Xanthine

enlarge

Systematic / IUPAC Name: 3,7-Dihydropurine-2,6-dione

ID: Reference781

Other Names: 2,6-Dihydroxypurine;
2,6-Dioxopurine;
1H-Purine-2,6-diol;
1H-Purine-2,6-dione, 3,7-dihydro-;
2,6-Dioxo-1,2,3,6-tetrahydropurine ; more

Formula: C5H4N4O2

Class: Endogenous Metabolites

Spectral Data

Xanthine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 195
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 3/9/2015 12:44:02 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Canonical SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
CAS 69896
Splash
Other Names 2,6-Dihydroxypurine;
2,6-Dioxopurine;
1H-Purine-2,6-diol;
1H-Purine-2,6-dione, 3,7-dihydro-;
2,6-Dioxo-1,2,3,6-tetrahydropurine;
1H-Purine-2,6-dione, 3,9-dihydro-;
Purine-2,6-(1H,3H)-dione;
3,9-Dihydro-1H-purine-2,6-dione;
1,3-Dihydropurine-2,6-dione;
Xan

In Other Databases

ChemSpider 1151
ChemIDPlus 000069896; 068738874; 001196436; 067208097
ChEBI CHEBI:17712; CHEBI:48517
PubChem 1188
Wikipedia Xanthine
ChEMBL CHEMBL1424
KEGG C00385
HMDb HMDB00292