DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:51 UTC
Update Date	2025-03-25 00:57:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226283
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₃O₄
Molecular Mass	259.1532
SMILES	CC(O)C(N)C(=O)NC(CCN1CCC1)C(=O)O
InChI Key	IXCQZNVUYKWSNZ-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 amino fatty acids azacyclic compounds azetidines carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds 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 amide fatty acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine amino fatty acid carboxamide group n-acyl-amine azetidine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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