DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:14 UTC
Update Date	2025-03-21 18:02:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041451
Frequency	105.3
Structure
Chemical Formula	C₁₃H₂₅N₅O₃
Molecular Mass	299.1957
SMILES	CN(C)C(N)=NCCCC(N)C(=O)N1CCCC1C(=O)O
InChI Key	UJSGTNBLPQFRFQ-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 azacyclic compounds carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid guanidine n-acylpyrrolidine alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide pyrrolidine carboxylic acid 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 alpha-amino acid amide azacycle n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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