DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:52 UTC
Update Date	2025-03-25 00:52:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194040
Frequency	0.5
Structure
Chemical Formula	C₉H₁₇N₃O₃
Molecular Mass	215.127
SMILES	CN1CCN(C(=O)C(N)CC(=O)O)CC1
InChI Key	XFMQLHCVIQRQFY-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	alpha amino acid amides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-methylpiperazines organic oxides organopnictogen compounds tertiary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid organic oxide piperazine tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine organoheterocyclic compound alpha-amino acid amide azacycle n-alkylpiperazine tertiary aliphatic amine n-methylpiperazine carboxamide group monocarboxylic acid or derivatives organic oxygen compound 1,4-diazinane hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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