DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:39 UTC
Update Date	2025-03-25 00:46:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152655
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₃O₅
Molecular Mass	323.1481
SMILES	NC(=NC(Cc1ccc(O)cc1)C(=O)O)C(N)CCCC(=O)O
InChI Key	FYYWCZVHDHLLEY-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 amidines amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboximidamides carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid fatty acid amidine medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives tyrosine or derivatives organic 1,3-dipolar compound carboximidamide amino fatty acid 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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