DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:34 UTC
Update Date	2025-03-21 18:37:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00116548
Frequency	22.5
Structure
Chemical Formula	C₇H₁₃N₃O₄
Molecular Mass	203.0906
SMILES	NC(=O)CC(N)C(=O)NCCC(=O)O
InChI Key	FWGFBWAXKOGCIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives alpha-amino acid amide carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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