DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:47 UTC
Update Date	2025-03-21 18:33:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097554
Frequency	28.3
Structure
Chemical Formula	C₁₅H₂₂N₄O₆
Molecular Mass	354.1539
SMILES	N=C(NCCCC(N)C(=O)O)NC(Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	TYKJEKJNJCJTIE-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 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amphetamines and derivatives arginine and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines hydrocarbon derivatives imines monoalkylamines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid guanidine imine 1-hydroxy-2-unsubstituted benzenoid organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives carboximidamide 1-hydroxy-4-unsubstituted benzenoid 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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