DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:32 UTC
Update Date	2025-03-21 18:40:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130726
Frequency	38.7
Structure
Chemical Formula	C₁₄H₁₉N₃O₅
Molecular Mass	309.1325
SMILES	NC(CCC(N)C(=O)O)=NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	GLJCNYJILBPSNV-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amidines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid amidine propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives organic 1,3-dipolar compound carboximidamide aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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