DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:59 UTC
Update Date	2025-03-21 18:05:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059735
Frequency	52.5
Structure
Chemical Formula	C₂₁H₂₆N₄O₄
Molecular Mass	398.1954
SMILES	O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C1CCCN1
InChI Key	RTQKBZIRDWZLDF-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 azacyclic compounds benzenoids carbonyl compounds carboxylic acids dialkylamines heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid indole n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound 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 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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