DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:43 UTC
Update Date	2025-03-21 17:58:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00016916
Frequency	251.1
Structure
Chemical Formula	C₁₆H₂₂N₆O₇
Molecular Mass	410.155
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ccnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	NBMOWEMIAFICOW-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-carbamoyl-alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines methylpyridines monosaccharides n-arylamides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group polyhalopyridine fatty amide monosaccharide n-arylamide imidazopyridine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound hydroxypyridine methylpyridine carboxamide group oxacycle secondary carboxylic acid amide pyridine organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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