DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:59 UTC
Update Date	2025-03-21 18:02:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00038540
Frequency	90.7
Structure
Chemical Formula	C₁₄H₂₀N₄O₉
Molecular Mass	388.123
SMILES	Nc1c(C(=O)NC(CC(=O)O)CC(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	RILBPHRUHZAFBL-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 amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-substituted imidazoles organic oxides 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 carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group beta amino acid or derivatives 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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