DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:57 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205721
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₅O₃
Molecular Mass	259.1644
SMILES	NCCCC(=O)NC(CCCNC(N)=O)C(N)=O
InChI Key	LTFAEZLROIOXNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group gamma amino acid or derivatives fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound carbonic acid derivative n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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