DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:34 UTC
Update Date	2025-03-25 00:51:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188927
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₀N₃O₄+
Molecular Mass	352.2231
SMILES	CC(O)CCCCc1ccc(C(N)=O)c[n+]1CCCCC(N)C(=O)O
InChI Key	UDJSEJHYYSIHPK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids hydroxypyridines medium-chain fatty acids medium-chain hydroxy acids and derivatives methylpyridines monoalkylamines monocarboxylic acids and derivatives nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid polyhalopyridine nicotinamide fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid 2-halopyridine organic cation organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound hydroxypyridine methylpyridine carboxamide group amino fatty acid monocarboxylic acid or derivatives pyridine organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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