DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:49 UTC
Update Date	2025-03-25 00:47:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164286
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₅O₁₀
Molecular Mass	483.1601
SMILES	CC(O)C(Nc1ccnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)NC(CC(=O)O)C(=O)O
InChI Key	BKWCMLRZARELEV-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines methylpyridines monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyridine saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound n-substituted-alpha-amino acid secondary aliphatic/aromatic amine alpha-dipeptide secondary carboxylic acid amide pyridine aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative amine fatty acyl carbonyl group amino acid polyhalopyridine fatty amide organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound 2-halopyridine primary alcohol azole n-substituted imidazole tetrahydrofuran hydroxypyridine methylpyridine secondary amine carboxamide group n-acyl-amine oxacycle organic oxygen compound secondary alcohol organic nitrogen compound organooxygen compound

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