DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:05 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205996
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₂O₇
Molecular Mass	326.1114
SMILES	NC(CCC(=O)NC(C(=O)O)C(O)c1cccc(O)c1)C(=O)O
InChI Key	FDHNLGKZDOPTEY-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids aromatic alcohols benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary alcohols secondary carboxylic acid amides
Substituents	aromatic alcohol fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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