DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:00 UTC
Update Date	2025-03-21 18:34:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103006
Frequency	26.4
Structure
Chemical Formula	C₁₇H₃₂N₆O₆
Molecular Mass	416.2383
SMILES	CC(C)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	AUIUPLGGDKKRNX-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	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives guanidines hydrocarbon derivatives imines leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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