DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:23 UTC
Update Date	2025-03-25 00:57:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223064
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₃O₃
Molecular Mass	255.1583
SMILES	NC(CCCCNC(=O)C1CC=CCN1)C(=O)O
InChI Key	MBBQIGLCDSXVRM-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 amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines fatty acyls heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound secondary aliphatic amine alpha-amino acid amide azacycle secondary amine carboxamide group amino fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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