DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:56 UTC
Update Date	2025-03-21 17:59:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00021894
Frequency	190.1
Structure
Chemical Formula	C₇H₁₂N₂O₅
Molecular Mass	204.0746
SMILES	NCCCC(=O)NC(C(=O)O)C(=O)O
InChI Key	RHSAQXOOUQXBSH-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	1,3-dicarbonyl compounds alpha amino acids carboxylic acids dicarboxylic acids and derivatives 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 organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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