DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:20 UTC
Update Date	2025-03-21 17:59:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00022767
Frequency	173.7
Structure
Chemical Formula	C₁₅H₂₀N₂O₆
Molecular Mass	324.1321
SMILES	CC(C)CC(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O
InChI Key	ROSMOQADGQSNPU-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	leucine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	aldimines alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives 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 leucine or derivatives 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 organic nitrogen compound organooxygen compound amine

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