DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:06 UTC
Update Date	2025-03-21 18:36:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113008
Frequency	23.4
Structure
Chemical Formula	C₁₅H₂₂N₄O₄
Molecular Mass	322.1641
SMILES	N=C(N)NCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	WMDHJDUOHWAUHQ-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 carboxylic acids delta amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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