DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:39 UTC
Update Date	2025-03-25 00:48:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168500
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₈
Molecular Mass	320.122
SMILES	CC(C)C(NC(=O)C1OC(O)(C(=O)O)CC(O)C1N)C(=O)O
InChI Key	MUKMOJBKKVOKKJ-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid alpha-hydroxy acid fatty acid pyran carboxylic acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal delta amino acid or derivatives hydroxy fatty acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid valine or derivatives hydroxy acid carboxamide group branched fatty acid beta amino acid or derivatives 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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