DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:07 UTC
Update Date	2025-03-21 18:06:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00064805
Frequency	58.8
Structure
Chemical Formula	C₁₄H₂₈N₆O₄
Molecular Mass	344.2172
SMILES	CC(NC(=O)C(NC(=O)C(N)CCCNC(=N)N)C(C)C)C(=O)O
InChI Key	KEZVOBAKAXHMOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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