DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:36 UTC
Update Date	2025-03-25 00:48:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168400
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₄N₃O+
Molecular Mass	202.1914
SMILES	CC(C)C(N)C(=O)NCC[N+](C)(C)C
InChI Key	ZGUHTIDAPRKWBQ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	valine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt valine or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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