DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:51 UTC
Update Date	2025-03-25 00:47:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164362
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₄
Molecular Mass	244.1423
SMILES	CC(O)C(NC(=O)C1CCCCN1C)C(=O)O
InChI Key	IDUZBADSNMXFBS-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds piperidinecarboxamides piperidines secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid piperidine tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide tertiary aliphatic amine hydroxy acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound amine 2-piperidinecarboxamide organooxygen compound

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