DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:03 UTC
Update Date	2025-03-25 01:01:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247261
Frequency	0.5
Structure
Chemical Formula	C₂₁H₄₀N₈O₆
Molecular Mass	500.3071
SMILES	CCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(N)=O)C(=O)NC(C(=O)O)C(C)C
InChI Key	SWSAPXHJORUXGK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives isoleucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives organic 1,3-dipolar compound carboximidamide carboxamide group branched fatty acid n-acyl-amine 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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