DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:03 UTC
Update Date	2025-03-25 00:51:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185416
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₃O₆
Molecular Mass	287.1117
SMILES	NC(=O)CC(NC(=O)CN1CCCC1C(=O)O)C(=O)O
InChI Key	MGUXCWHXZAILRH-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 asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides heterocyclic fatty acids hydrocarbon derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides trialkylamines
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound asparagine or derivatives pyrrolidine tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic 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 amine organooxygen compound

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