DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:47 UTC
Update Date	2025-03-25 00:57:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223972
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₃O₅
Molecular Mass	281.1012
SMILES	NC(=O)NC(CCC(=O)c1cc(O)ccc1N)C(=O)O
InChI Key	USKWAHADSVLHGT-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-carbamoyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl-phenylketones alpha amino acids amino acids amino fatty acids aryl alkyl ketones benzoyl derivatives butyrophenones carbocyclic fatty acids carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organopnictogen compounds phenylbutylamines primary amines vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid fatty acid medium-chain hydroxy acid ketone organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid vinylogous amide carbonic acid derivative n-carbamoyl-alpha-amino acid amino fatty acid phenylketone butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

Showing information for DMID02223972