ribavirin carboxylic acid (CHEBI:180483)

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CHEBI:180483 - ribavirin carboxylic acid

ChEBI ID	CHEBI:180483
ChEBI Name	ribavirin carboxylic acid
Stars
Definition	A 1-ribosyltriazole that is ribavirin in which the carbamoyl group at position 3 is replaced by a carboxy group. It is a catabolite and impurity of ribavirin.
Last Modified	27 January 2022
Submitter	R. Stephan
Downloads	Molfile

Formula	C8H11N3O6
Net Charge	0
Average Mass	245.191
Monoisotopic Mass	245.06479
SMILES	O=C(O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChI	InChI=1S/C8H11N3O6/c12-1-3-4(13)5(14)7(17-3)11-2-9-6(10-11)8(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t3-,4-,5-,7-/m1/s1
InChIKey	JGRLGSOSBSHJIR-FNKGTGPASA-N

Roles Classification

Chemical Roles:

impurity A chemical role played by any unwanted chemical substance inside a confined amount of liquid, gas, or solid, which differs from the chemical composition of the material or compound. For example, an impurity can be an undesired by-product of a chemical reaction or manufacturing process, a drug contaminant, or can be created upon degradation during storage.

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

Biological Role:

drug metabolite

ChEBI Ontology

Outgoing Relation(s)
	ribavirin carboxylic acid (CHEBI:180483) has role drug metabolite (CHEBI:49103)
	ribavirin carboxylic acid (CHEBI:180483) has role impurity (CHEBI:143130)
	ribavirin carboxylic acid (CHEBI:180483) is a 1-ribosyltriazole (CHEBI:63594)
	ribavirin carboxylic acid (CHEBI:180483) is a aromatic carboxylic acid (CHEBI:33859)
	ribavirin carboxylic acid (CHEBI:180483) is a monocarboxylic acid (CHEBI:25384)
	ribavirin carboxylic acid (CHEBI:180483) is conjugate acid of ribavirin carboxylate (CHEBI:189551)
Incoming Relation(s)
Incoming Relation(s)	ribavirin carboxylate (CHEBI:189551) is conjugate base of ribavirin carboxylic acid (CHEBI:180483)

IUPAC Name
1-β-D-ribofuranosyl-1H-1,2,4-triazole-3-carboxylic acid

Synonyms	Source
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-1,2,4-triazole-3-carboxylic acid	IUPAC
ribavirin specified impurity A	ChemIDplus
ribavirin related compound A	ChEBI

Manual Xrefs	Databases
20038397	ChemSpider

Registry Numbers	Sources
CAS:39925-19-4	ChemIDplus

Citations