DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:17 UTC
Update Date	2025-03-25 00:57:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225080
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₅N₃O₄
Molecular Mass	395.1845
SMILES	Nc1nc(-c2ccccc2)n(CCC(O)CC(O)CC(=O)O)c1-c1ccccc1
InChI Key	TYLXHMZHSNCCCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	imidazoles
Direct Parent	phenylimidazoles
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids amino fatty acids azacyclic compounds benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds primary amines secondary alcohols
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid heterocyclic fatty acid fatty acid carboxylic acid derivative medium-chain hydroxy acid 4-phenylimidazole beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid imidolactam n-substituted imidazole alcohol azacycle heteroaromatic compound hydroxy acid amino fatty acid 5-phenylimidazole monocarboxylic acid or derivatives organic oxygen compound 2-phenylimidazole secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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