DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:13 UTC
Update Date	2025-03-21 18:03:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043857
Frequency	77.3
Structure
Chemical Formula	C₁₇H₂₁N₃O₄
Molecular Mass	331.1532
SMILES	CC(=O)NCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	XSXBPHLADGEGSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds pyrroles secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid indole gamma amino acid or derivatives fatty amide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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