DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:31 UTC
Update Date	2025-03-25 00:59:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234486
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₃O₄+
Molecular Mass	246.1448
SMILES	C[N+](C)(C)CC(=O)NCCC(=O)NCC(=O)O
InChI Key	WVESGDAYLHMBNC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	peptoid-peptide hybrids
Direct Parent	peptoid-peptide hybrids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids amines beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives peptoid/peptide hybrid alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group beta amino acid or derivatives n-acylglycine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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