DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:09 UTC
Update Date	2025-03-21 18:35:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00108295
Frequency	24.8
Structure
Chemical Formula	C₁₃H₂₁N₃O₅
Molecular Mass	299.1481
SMILES	CC(NC(=O)C1CC(O)CN1C(=O)C1CCCN1)C(=O)O
InChI Key	KYCGQMDQLLEHKH-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid n-acylpyrrolidine alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound 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 secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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