DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:19 UTC
Update Date	2025-03-25 01:00:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240817
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₃N₃O₇
Molecular Mass	381.1536
SMILES	CC(C)C(N)C(=O)NC(C(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	XQHSTBKVWYUJPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives valine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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