DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:35 UTC
Update Date	2025-03-21 18:05:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056420
Frequency	64.7
Structure
Chemical Formula	C₁₃H₂₆N₆O₄
Molecular Mass	330.2016
SMILES	CC(C)C(N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O
InChI Key	COYSIHFOCOMGCF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines 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 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-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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