DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:30 UTC
Update Date	2025-03-25 00:59:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238948
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₄O₅
Molecular Mass	286.1277
SMILES	NC(=O)c1ncn(CCC(O)CC(O)CC(=O)O)c1N
InChI Key	ILEQBKDYHCZEHQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides amino acids amino fatty acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles medium-chain fatty acids monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds primary amines primary carboxylic acid amides secondary alcohols vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid heterocyclic fatty acid fatty acid carboxylic acid derivative 2-heteroaryl carboxamide medium-chain hydroxy acid beta-hydroxy acid organic oxide imidazole organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid imidazole-4-carbonyl group organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle heteroaromatic compound carboxamide group amino fatty acid monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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