DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:38 UTC
Update Date	2025-03-21 18:01:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00030432
Frequency	122.2
Structure
Chemical Formula	C₁₅H₂₁N₃O₆
Molecular Mass	339.143
SMILES	NC(CCCNC(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O
InChI Key	ILTYPOHWNRNEQZ-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 amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives carbonic acid derivative tyrosine or derivatives n-carbamoyl-alpha-amino acid 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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