DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:43 UTC
Update Date	2025-03-25 00:51:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184670
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₂N₄O₇
Molecular Mass	406.1488
SMILES	NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	NJSPTZXVPZDRCU-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 aspartic acid and derivatives azacyclic compounds benzenoids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary alcohols pyrroles secondary carboxylic acid amides serine 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 organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound pyrrole aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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