DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:36 UTC
Update Date	2025-03-21 18:34:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102020
Frequency	26.7
Structure
Chemical Formula	C₂₀H₂₃N₅O₇
Molecular Mass	445.1597
SMILES	Nc1c(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	POVZIDKVTQNTFR-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 heteropolycyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds benzenoids carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles indoles monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrroles secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid indole monosaccharide alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound 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 heteroaromatic compound indole or derivatives carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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