DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:48 UTC
Update Date	2025-03-25 00:59:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235178
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₅
Molecular Mass	274.1529
SMILES	COC(=O)CCC(NC(=O)C(N)CC(=O)O)C(C)C
InChI Key	DFFZGMDHBRJNHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives branched fatty 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 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 alpha-amino acid or derivatives carboxylic acid derivative organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group branched fatty acid 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 hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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