DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:16 UTC
Update Date	2025-03-21 18:04:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00051113
Frequency	64.0
Structure
Chemical Formula	C₁₂H₂₃N₃O₅
Molecular Mass	289.1638
SMILES	CC(N)C(=O)NC(C(=O)NC(C(=O)O)C(C)O)C(C)C
InChI Key	OMSKGWFGWCQFBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids beta hydroxy acids and derivatives branched fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives hydroxy acid carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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