DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:08 UTC
Update Date	2025-03-25 00:57:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224740
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉F₃N₄O₇
Molecular Mass	412.1206
SMILES	Nc1c(C(=O)NC(CCC(F)(F)F)C(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	QYLFRMDCBHYJQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alkyl fluorides alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds primary alcohols primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative organohalogen compound 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound alkyl halide imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran alkyl fluoride organofluoride heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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