DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:30 UTC
Update Date	2025-03-25 00:57:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225520
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₂N₈O₄
Molecular Mass	460.2547
SMILES	CC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1[nH]nc2ccccc12)C(=O)O
InChI Key	HRVKQYGHDMPLKN-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 arginine and derivatives azacyclic compounds benzenoids carbonyl compounds carboximidamides carboxylic acids guanidines heteroaromatic compounds hydrocarbon derivatives imines indazoles monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides pyrazoles secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid guanidine imine fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide pyrazole organic oxide aromatic heteropolycyclic compound arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid indazole valine or derivatives heteroaromatic compound carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound benzopyrazole organooxygen compound

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