DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:00 UTC
Update Date	2025-03-21 18:04:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00048153
Frequency	68.9
Structure
Chemical Formula	C₁₀H₂₀N₂O₃
Molecular Mass	216.1474
SMILES	CCC(C)C(N)C(=O)NCCCC(=O)O
InChI Key	WLDMHMOYXSPTKN-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 branched fatty acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives isoleucine and derivatives monoalkylamines 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 fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives alpha-amino acid amide carboxamide group branched fatty acid 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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