DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:23 UTC
Update Date	2025-03-21 18:07:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067865
Frequency	44.7
Structure
Chemical Formula	C₁₅H₂₃N₄O₆+
Molecular Mass	355.1612
SMILES	NC(=O)c1c[n+](CCCCC(N)C(=O)O)cc(O)c1CC(N)C(=O)O
InChI Key	APPMNTYDTRRJEI-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	amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids hydroxypyridines medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines primary carboxylic acid amides pyridinecarboxylic acids and derivatives 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 organic cation organoheterocyclic compound vinylogous amide azacycle heteroaromatic compound hydroxypyridine carboxamide group amino fatty acid pyridine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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