DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:42 UTC
Update Date	2025-03-21 18:38:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121637
Frequency	21.3
Structure
Chemical Formula	C₁₅H₂₁N₃O₆
Molecular Mass	339.143
SMILES	NC(CCCCN=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O
InChI Key	KHHRWJXMFQEADL-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 acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	aldimines amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds tetrahydropyridines tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid amino acid imine tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound secondary aliphatic amine azacycle tetrahydropyridine organic 1,3-dipolar compound secondary amine organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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