DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:17 UTC
Update Date	2025-03-25 00:55:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213589
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆N₂O₅
Molecular Mass	232.1059
SMILES	COC(=O)CC(NC(=O)CCCN)C(=O)O
InChI Key	BNIWMCXPBWPUNZ-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	aspartic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acid methyl esters gamma amino acids and derivatives hydrocarbon 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 gamma amino acid or derivatives fatty amide organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide fatty acid ester fatty acid methyl ester organic oxygen compound carboxylic acid ester aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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