DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:07 UTC
Update Date	2025-03-21 18:41:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136591
Frequency	18.3
Structure
Chemical Formula	C₁₆H₁₇N₃O₇
Molecular Mass	363.1066
SMILES	O=C1NC(=CC=NC(Cc2ccc(O)c(O)c2)C(=O)O)CC(C(=O)O)N1
InChI Key	ROPAKRWKMIRKKE-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids diazinanes dicarboxylic acids and derivatives hydrocarbon derivatives organic carbonic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyrimidones
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound aldimine 1,3-diazinane organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives carbonic acid derivative tyrosine or derivatives azacycle organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00136591