DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:17 UTC
Update Date	2025-03-25 01:02:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254529
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₇N₅O₄
Molecular Mass	341.2063
SMILES	CC(C)CC(NC(=O)C1CC(CCCNC(=N)N)C(=O)N1)C(=O)O
InChI Key	NSSOAIZFCOMGGX-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 delta amino acids and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines lactams leucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid guanidine imine fatty acid alpha-amino acid or derivatives organic oxide leucine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid 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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