DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:13 UTC
Update Date	2025-03-21 18:28:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074674
Frequency	39.7
Structure
Chemical Formula	C₁₅H₂₅N₃O₆
Molecular Mass	343.1743
SMILES	CC(C)CC(NC(=O)C1CCCN1C(=O)C(N)CC(=O)O)C(=O)O
InChI Key	YFGUZQQCSDZRBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives 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 polypeptide methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group branched fatty acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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