Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:55:17 UTC
Update Date2024-10-13 14:41:57 UTC
Metabolite IDMMDBc0030136
Metabolite Identification
Common Name7-Cyano-7-carbaguanine
Description7-cyano-7-carbaguanine is a member of the chemical class known as Pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. This compound is involved in queuosine biosynthesis.
Structure
Synonyms
ValueSource
2-AMINO-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-D]pyrimidine-5-carbonitrileChEBI
7-CN-7-DeazaGChEBI
PreQ(0)ChEBI
7-Cyano-7-deazaguanineKegg
PreQ(0) compoundMeSH
Molecular FormulaC7H5N5O
Average Mass175.1475
Monoisotopic Mass175.049409807
IUPAC Name4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Traditional Name7-cyano-7-deazaguanine
CAS Registry NumberNot Available
SMILES
OC1=NC(=N)NC2=C1C(=CN2)C#N
InChI Identifier
InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChI KeyFMKSMYDYKXQYRV-UHFFFAOYSA-N