DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:55 UTC
Update Date	2025-03-25 00:54:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207925
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄N₂O₆
Molecular Mass	316.1634
SMILES	CC(C)CC(NC(=O)C(O)CN1CCCC1C(=O)O)C(=O)O
InChI Key	RRSPEXILAGEWAQ-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	alpha amino acids amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monosaccharides n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids 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 heterocyclic fatty acid monosaccharide fatty acid saccharide organic oxide leucine or derivatives pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid pyrrolidine tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol methyl-branched fatty acid azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic amine carboxamide group branched fatty acid beta amino acid or derivatives secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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