DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:58 UTC
Update Date	2025-03-25 00:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240026
Frequency	0.5
Structure
Chemical Formula	C₇H₁₄N₄O₄
Molecular Mass	218.1015
SMILES	NCCCC(=O)NC(NC(N)=O)C(=O)O
InChI Key	MBQPXTYNBOAZCL-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 acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives carbonic acid derivative n-acyl-alpha-amino acid n-carbamoyl-alpha-amino acid carboxamide group n-acyl-amine 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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