DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:25 UTC
Update Date	2025-03-25 00:53:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197563
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₃N₅O₅
Molecular Mass	529.3264
SMILES	CCC(C)C(NC(=O)C(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)NC(CC(C)C)C(=O)O
InChI Key	HFJDTHUPYKZYNZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles isoleucine and derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides pyrroles secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid indole fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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