DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:52 UTC
Update Date	2025-03-25 00:51:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187372
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₀N₈O₆
Molecular Mass	560.3071
SMILES	CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)C(C)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	VERQWKODKRWWFP-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 carboximidamides carboxylic acids guanidines heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides propargyl-type 1,3-dipolar organic compounds pyrroles secondary alcohols secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid indole guanidine fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound indole or derivatives organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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