DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:25 UTC
Update Date	2025-03-25 00:51:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188570
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₃O₅
Molecular Mass	287.1481
SMILES	CC(NC(=O)C(NC(=O)CCC(N)=O)C(C)C)C(=O)O
InChI Key	CMBGKEGZFYJMKC-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	alanine and derivatives alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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