DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:34 UTC
Update Date	2025-03-25 00:59:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239094
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₃O₃
Molecular Mass	289.1426
SMILES	NC(=O)CCCNC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	VGJGEJPOTAFSEG-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids dialkylamines fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary carboxylic acid amides pyrroles
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid amino acid indole gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound secondary aliphatic amine azacycle heteroaromatic compound indole or derivatives secondary amine carboxamide group monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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