DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:05 UTC
Update Date	2025-03-25 00:47:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162621
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇N₃O₉
Molecular Mass	371.0965
SMILES	O=C(O)CC(NC(=O)c1nc(=O)ccn1C1CC(O)C(CO)O1)C(=O)O
InChI Key	TZFGXPJXUBOZRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleosides
Subclass	pyrimidine nucleosides
Direct Parent	pyrimidine nucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyrimidinecarboxylic acids and derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound monosaccharide pyrimidone alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrimidine nucleoside primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide 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 pyrimidine-2-carboxylic acid or derivatives organooxygen compound

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