xanthine

Chemical Formula:

C₅H₄N₄O₂

Molecular Weight:

152.112 Daltons

Monoisotopic Mass:

152.0334253934 Daltons

SMILES:

C12(NC(=O)NC(C=1N=CN2)=O)

InChI:

1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

InChIKey:

LRFVTYWOQMYALW-UHFFFAOYSA-N

Synonyms

2,6-dioxopurine

Databases

MetaCyc: XANTHINE

RefMet: Xanthine

BiGG: xan

DRUGBANK: DB02134

MetaboLights: MTBLC17712

HMDB: HMDB00292

ChemSpider: 1151

PubChem (CID): 1188

ChEBI: 17712 48517

KEGG: C00385

CAS: 69-89-6

PupChem (SID): 3675

CHEMBL: CHEMBL1424

KNApSAcK: C00019660

PDB-CCD: XAN

3DMET: B00099

NIKKAJI: J2.371J

MediaDB: compounds/368/

Reactome: 30064

Seed: cpd00309

MetaNetX: MNXM174