DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:58 UTC
Update Date	2025-03-21 18:41:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136258
Frequency	18.4
Structure
Chemical Formula	C₁₃H₂₃N₅O₅
Molecular Mass	329.1699
SMILES	N=C(N)NCCCC(NC(=O)C1CCCN1CC(=O)O)C(=O)O
InChI Key	PVPPQGZWCLJRHG-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 arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid guanidine imine fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound 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 carboximidamide 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 pyrrolidine-2-carboxamide amine organooxygen compound

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