DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:25 UTC
Update Date	2025-03-21 18:41:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134998
Frequency	18.6
Structure
Chemical Formula	C₁₄H₂₀N₄O₇
Molecular Mass	356.1332
SMILES	Nc1c(C(=O)N2CCCC2C(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	UPZJYANLAMWPIQ-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 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-acylpyrrolidines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines proline and derivatives pyrrolidine carboxylic acids secondary alcohols tertiary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid n-acylpyrrolidine monosaccharide alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group pyrrolidine primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives proline or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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