DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:57 UTC
Update Date	2025-03-21 18:30:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00083662
Frequency	62.9
Structure
Chemical Formula	C₁₈H₂₇N₃O₅
Molecular Mass	365.1951
SMILES	CC(C)CC(N)C(O)=NC(Cc1ccccc1)C(O)=NC(CO)C(=O)O
InChI Key	PTRKPHUGYULXPU-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	serine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary alcohols propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol amphetamine or derivatives alcohol organic 1,3-dipolar compound hydroxy acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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