DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:44 UTC
Update Date	2025-03-25 00:46:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152836
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₄O₆
Molecular Mass	366.1539
SMILES	N=C(NCCCC(O)=NCC(=O)O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	SEMJLQBWVHJMKS-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 carboximidamides carboximidic acids carboxylic acids dicarboxylic acids and derivatives guanidines hydrocarbon derivatives imines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid guanidine imine 1-hydroxy-2-unsubstituted benzenoid 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 organic nitrogen compound organooxygen compound

Showing information for DMID02152836