DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:19 UTC
Update Date	2025-03-25 01:01:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252403
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₂O₅
Molecular Mass	258.1216
SMILES	NCCCCC(C(=O)O)N1CC(=O)CC1C(=O)O
InChI Key	HWNDNMNLDJJMJY-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds carboxylic acids cyclic ketones dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-alkylpyrrolidines organic oxides organopnictogen compounds oxoprolines pyrrolidine carboxylic acids pyrrolidine-3-ones trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid 3-pyrrolidone amino acid heterocyclic fatty acid fatty acid cyclic ketone ketone organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound medium-chain fatty acid pyrrolidine pyrrolidone tertiary amine organoheterocyclic compound proline or derivatives oxoproline azacycle n-alkylpyrrolidine tertiary aliphatic amine amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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