DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:54 UTC
Update Date	2025-03-21 18:07:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066697
Frequency	45.7
Structure
Chemical Formula	C₈H₁₄N₂O₅
Molecular Mass	218.0903
SMILES	NC(CC(=O)O)C(=O)NCCCC(=O)O
InChI Key	HADXVXBIROFLIC-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 aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines 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 fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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