DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:09 UTC
Update Date	2025-03-21 18:38:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122699
Frequency	21.1
Structure
Chemical Formula	C₁₂H₁₉N₃O₈
Molecular Mass	333.1172
SMILES	CC(=O)NC1C(O)CC(C(=O)O)OC1NC(=O)CC(N)C(=O)O
InChI Key	OFJMSBFZSQFEMG-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	asparagine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines n-acyl amines n-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide fatty acid pyran carboxylic acid n-glucuronide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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