DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:30 UTC
Update Date	2025-03-25 00:57:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225523
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₅
Molecular Mass	272.1372
SMILES	CC(C)C(NC(=O)C(N)CC1CCC(=O)O1)C(=O)O
InChI Key	DJTWSXQUSKXHFM-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty amides gamma butyrolactones heterocyclic fatty acids hydrocarbon derivatives methyl-branched fatty acids monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives lactone organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid tetrahydrofuran valine or derivatives carboxamide group branched fatty acid gamma butyrolactone alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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