DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:39 UTC
Update Date	2025-03-25 00:54:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209676
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₅O₅
Molecular Mass	303.1543
SMILES	CC(O)C(=O)C(NC(=O)C(N)CCCNC(=N)N)C(=O)O
InChI Key	KFXXUESYXQHLDW-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	1,3-dicarbonyl compounds acyloins alpha amino acid amides alpha amino acids alpha-hydroxy ketones arginine and derivatives beta-hydroxy ketones beta-keto acids and derivatives carboximidamides carboxylic acids guanidines hydrocarbon derivatives hydroxy fatty acids imines methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain keto acids and derivatives
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide monosaccharide short-chain keto acid alpha-amino acid or derivatives alpha-hydroxy ketone beta-keto acid ketone saccharide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound keto acid acyloin secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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