DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:46 UTC
Update Date	2025-03-25 00:57:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223927
Frequency	0.5
Structure
Chemical Formula	C₆H₁₃N₃O₄
Molecular Mass	191.0906
SMILES	NC(=O)NCC(N)CC(O)C(=O)O
InChI Key	RIKZWWAFDAJRAH-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols short-chain hydroxy acids and derivatives
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carbonic acid derivative carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives alpha-hydroxy acid fatty acid hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound secondary alcohol organopnictogen compound hydrocarbon derivative hydroxy fatty acid primary aliphatic amine organic nitrogen compound organooxygen compound

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