DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:02 UTC
Update Date	2025-03-25 00:58:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02231088
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₅
Molecular Mass	272.1372
SMILES	CCOC(=O)C(CCC(=O)O)NC(=O)C1CCCN1
InChI Key	CBYQRTANTRORNA-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acid esters alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acid esters carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acid esters glutamic acid and derivatives heterocyclic fatty acids hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid alpha-amino acid or derivatives alpha peptide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide alpha-amino acid ester azacycle n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group secondary carboxylic acid amide fatty acid ester pyrrolidine carboxylic acid or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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