DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:04 UTC
Update Date	2025-03-25 00:47:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162569
Frequency	0.5
Structure
Chemical Formula	C₉H₁₂N₂O₆
Molecular Mass	244.0695
SMILES	O=C(O)CC(NC(=O)C1NCCC1=O)C(=O)O
InChI Key	NKKTXGALYMPSFD-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	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carboxylic acids cyclic ketones dialkylamines dicarboxylic acids and derivatives dipeptides heterocyclic fatty acids hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidine-3-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid 3-pyrrolidone amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives cyclic ketone carboxylic acid derivative ketone organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives 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 dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound pyrrolidine-2-carboxamide organooxygen compound amine

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