DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:41 UTC
Update Date	2025-03-25 00:51:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184591
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₆N₆O₅
Molecular Mass	430.1965
SMILES	NC(CCCNc1nc2nc3ccccc3n(CCCCC(O)C(=O)O)c-2n1)C(=O)O
InChI Key	IFLIFNKLETZXFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazanaphthalenes
Subclass	benzodiazines
Direct Parent	quinoxalines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino acids amino fatty acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids diazanaphthalenes dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidazopyrazines medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides organic oxides organopnictogen compounds pyrazines secondary alcohols secondary alkylarylamines
Substituents	fatty acyl carbonyl group carboxylic acid imidazopyrazine amino acid or derivatives amino acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid azole alcohol quinoxaline azacycle heteroaromatic compound hydroxy acid secondary amine amino fatty acid secondary aliphatic/aromatic amine organic oxygen compound pyrazine secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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