DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:29 UTC
Update Date	2025-03-25 01:01:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248223
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₃O₆
Molecular Mass	287.1117
SMILES	NC(=O)C1CCC(C(=O)NC(CCC(=O)O)C(=O)O)N1
InChI Key	VJFBAYVJQCYUCY-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 azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives glutamic acid and derivatives heterocyclic fatty acids hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives 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 azacycle n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group 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 organooxygen compound amine

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