DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:56 UTC
Update Date	2025-03-21 18:37:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115049
Frequency	22.9
Structure
Chemical Formula	C₉H₁₄N₂O₆
Molecular Mass	246.0852
SMILES	O=C(O)CC(NC(=O)C1CC(O)CN1)C(=O)O
InChI Key	KTLSTWGQCLJAKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives dipeptides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary alcohols 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 fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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