DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:47 UTC
Update Date	2025-03-21 17:58:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00012657
Frequency	412.7
Structure
Chemical Formula	C₈H₁₄N₂O₄
Molecular Mass	202.0954
SMILES	CC(=O)NCCCC(=O)NCC(=O)O
InChI Key	HYGKJIWBOHBTOH-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	acetamides acyl glycines alpha amino acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines 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 organonitrogen compound alpha-amino acid organopnictogen compound acetamide n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative organic nitrogen compound organooxygen compound

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