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CHEBI:61125 - 7-carboxy-7-deazaguanine

ChEBI IDCHEBI:61125
ChEBI Name7-carboxy-7-deazaguanine
Stars
DefinitionA pyrrolopyrimidine that is 7-deazaguanine bearing a carboxylic acid substituent at the 7 position.
Last Modified22 April 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H6N4O3
Net Charge0
Average Mass194.150
Monoisotopic Mass194.04399
SMILESNc1nc(=O)c2c(C(=O)O)cnc2n1
InChIInChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)
InChIKeyXIUIRSLBMMTDSK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-carboxy-7-deazaguanine (CHEBI:61125) is a monocarboxylic acid (CHEBI:25384)
7-carboxy-7-deazaguanine (CHEBI:61125) is a pyrrolopyrimidine (CHEBI:38670)
7-carboxy-7-deazaguanine (CHEBI:61125) is conjugate acid of 7-carboxylato-7-deazaguanine (CHEBI:61036)
Incoming Relation(s)
7-amido-7-deazaguanosine (CHEBI:131836) has functional parent 7-carboxy-7-deazaguanine (CHEBI:61125)
7-cyano-7-deazaguanine (CHEBI:45075) has functional parent 7-carboxy-7-deazaguanine (CHEBI:61125)
7-formamidino-7-deazaguanine (CHEBI:64686) has functional parent 7-carboxy-7-deazaguanine (CHEBI:61125)
7-carboxylato-7-deazaguanine (CHEBI:61036) is conjugate base of 7-carboxy-7-deazaguanine (CHEBI:61125)
IUPAC Name 
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Synonym  Source
7-deaza-7-carboxyguanineChEBI
Citations