DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:04 UTC
Update Date	2025-03-25 00:56:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217688
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₅N₅O₅
Molecular Mass	415.1856
SMILES	NC(=O)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1)C(=O)O
InChI Key	RSTWKJFWBKFOFC-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 amino acids asparagine and derivatives azacyclic compounds benzenoids carbonyl compounds carboxylic acids dialkylamines fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino 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 asparagine or derivatives pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives secondary amine carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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