DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:03 UTC
Update Date	2025-03-25 00:55:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210652
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₅N₃O₅
Molecular Mass	315.1794
SMILES	CC(=NCCCC(NC(=O)C(N)CC(C)C)C(=O)O)C(=O)O
InChI Key	PGVBHYUQPFYILG-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides secondary ketimines
Substituents	fatty acyl aliphatic acyclic compound ketimine carbonyl group carboxylic acid imine fatty amide fatty acid alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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