CHEBI:30881 - xanthine-8-carboxylic acid

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ChEBI Name xanthine-8-carboxylic acid
ChEBI ID CHEBI:30881
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10060, CHEBI:27319
Supplier Information
Download Molfile XML SDF
Formula C6H4N4O4
Net Charge 0
Average Mass 196.12052
Monoisotopic Mass 196.02325
InChI InChI=1S/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14)
InChIKey VRZJGNXBSRQZGM-UHFFFAOYSA-N
SMILES OC(=O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing xanthine-8-carboxylic acid (CHEBI:30881) has functional parent xanthine (CHEBI:15318)
xanthine-8-carboxylic acid (CHEBI:30881) is a purinemonocarboxylic acid (CHEBI:38667)
xanthine-8-carboxylic acid (CHEBI:30881) is conjugate acid of xanthine-8-carboxylate (CHEBI:16806)
Incoming xanthine-8-carboxylate (CHEBI:16806) is conjugate base of xanthine-8-carboxylic acid (CHEBI:30881)
IUPAC Name
2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid
Manual Xref Database
C03314 KEGG COMPOUND
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Last Modified
26 June 2007