DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:28 UTC
Update Date	2025-03-25 00:50:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184094
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₄
Molecular Mass	258.158
SMILES	NC(CCCCNC1(CC(=O)O)CCC1)C(=O)O
InChI Key	YWZYACUPWAQPPF-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds
Substituents	fatty acyl carbocyclic fatty acid carbonyl group carboxylic acid amino acid fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid secondary aliphatic amine secondary amine amino fatty acid beta amino acid or derivatives organic oxygen compound aliphatic homomonocyclic compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

Showing information for DMID02184094