DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:26 UTC
Update Date	2025-03-21 18:04:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00053736
Frequency	60.1
Structure
Chemical Formula	C₁₃H₁₇N₃O₉
Molecular Mass	359.0965
SMILES	O=C(O)CC(NC(=O)c1cncn1C1OC(CO)C(O)C1O)C(=O)O
InChI Key	SBIYYYVMKWQPEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	aspartic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazole ribonucleosides and ribonucleotides imidazoles monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group imidazole ribonucleoside carboxylic acid aromatic heteromonocyclic compound monosaccharide 2-heteroaryl carboxamide saccharide organic oxide 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 azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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