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CHEBI:76793 - 5-carboxycytosine

ChEBI IDCHEBI:76793
ChEBI Name5-carboxycytosine
Stars
DefinitionA nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a carboxy group.
Last Modified16 January 2014
Submitterbroose.reactome@gmail.com
DownloadsMolfile
FormulaC5H5N3O3
Net Charge0
Average Mass155.113
Monoisotopic Mass155.03309
SMILESNc1nc(=O)ncc1C(=O)O
InChIInChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChIKeyBLQMCTXZEMGOJM-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-carboxycytosine (CHEBI:76793) has functional parent cytosine (CHEBI:16040)
5-carboxycytosine (CHEBI:76793) has role metabolite (CHEBI:25212)
5-carboxycytosine (CHEBI:76793) is a aminopyrimidine (CHEBI:38338)
5-carboxycytosine (CHEBI:76793) is a aromatic carboxylic acid (CHEBI:33859)
5-carboxycytosine (CHEBI:76793) is a nucleobase analogue (CHEBI:67142)
5-carboxycytosine (CHEBI:76793) is a pyrimidone (CHEBI:38337)
IUPAC Name 
4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
Synonyms  Source
5-carboxylcytosineChEBI
Cytosine-5-carboxylic acidChemIDplus
4-amino-2-oxopyrimidine-5-carboxylic acidChEBI
Registry NumbersSources
Reaxys:141857Reaxys
CAS:3650-93-9ChemIDplus
Citations