DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:47 UTC
Update Date	2025-03-21 18:32:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00092704
Frequency	30.2
Structure
Chemical Formula	C₁₃H₂₁N₃O₅
Molecular Mass	299.1481
SMILES	O=C(O)C(CCN1CCC1C(=O)O)NC(=O)C1CCCN1
InChI Key	RRXZKXFXKTXBSS-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amino fatty acids azacyclic compounds azetidinecarboxylic acids azetidines carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid azetidinecarboxylic acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine 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 tertiary aliphatic amine secondary amine amino fatty acid carboxamide group azetidine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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