DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:41 UTC
Update Date	2025-03-25 00:46:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152744
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₆O₅
Molecular Mass	342.1652
SMILES	N=C(N)NCCCC(NC(=O)C1CC(CC(N)=O)C(=O)N1)C(=O)O
InChI Key	HTUNXPWYGUFXRS-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 arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids guanidines heterocyclic fatty acids hydrocarbon derivatives imines lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid guanidine imine fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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