DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:15 UTC
Update Date	2025-03-21 17:58:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00013759
Frequency	323.3
Structure
Chemical Formula	C₁₄H₂₅N₃O₄
Molecular Mass	299.1845
SMILES	CCC(C)C(NC(=O)C1CCCN1C(=O)C(C)N)C(=O)O
InChI Key	WQLDNOCHHRISMS-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 heterocyclic fatty acids hydrocarbon derivatives isoleucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives 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 tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine isoleucine or derivatives 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 monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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