DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:50 UTC
Update Date	2025-03-25 00:47:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164326
Frequency	0.5
Structure
Chemical Formula	C₉H₁₅N₃O₆
Molecular Mass	261.0961
SMILES	CC(O)C(NC(=O)C(CC(N)=O)NC=O)C(=O)O
InChI Key	DSKOJBNWBFDWSV-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-formyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-formyl-alpha amino acid or derivatives asparagine or derivatives n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives n-formyl-alpha-amino acid organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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