DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:25 UTC
Update Date	2025-03-25 00:51:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186298
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁N₅O₆
Molecular Mass	343.1492
SMILES	NCCC(NC(=O)c1ncn(C2CC(O)C(CO)O2)c1N)C(=O)O
InChI Key	WWVGNAYIGFPQAC-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid monosaccharide 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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