DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:39 UTC
Update Date	2025-03-21 18:05:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056579
Frequency	56.3
Structure
Chemical Formula	C₁₂H₂₂N₂O₅
Molecular Mass	274.1529
SMILES	COC(=O)C(CC(C)C)NC(=O)C(N)CCC(=O)O
InChI Key	KCMVHOPRVCGTMH-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	peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acid esters alpha amino acids branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acid esters glutamic acid and derivatives hydrocarbon derivatives leucine and derivatives methyl esters monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide alpha-amino acid or derivatives alpha peptide organic oxide methyl ester leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide fatty acid ester organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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