DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:28 UTC
Update Date	2025-03-25 00:50:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184089
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₃N₅O₅
Molecular Mass	377.1699
SMILES	NC(CCCCn1cccc2c(=O)nc(NCCCC(=O)O)nc1-2)C(=O)O
InChI Key	UXKDGAGXKKYWPD-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxypyridines medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds polyhalopyridines pyrido[2,3-d]pyrimidines pyrimidones secondary alkylarylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid gamma amino acid or derivatives polyhalopyridine fatty acid pyrimidone alpha-amino acid or derivatives pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid pyridopyrimidine organopnictogen compound medium-chain fatty acid 2-halopyridine organoheterocyclic compound azacycle heteroaromatic compound hydroxypyridine secondary amine amino fatty acid secondary aliphatic/aromatic amine pyridine organic oxygen compound pyrido[2,3-d]pyrimidine dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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