DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:58 UTC
Update Date	2025-03-25 00:52:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192032
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₀N₄O₁₈
Molecular Mass	696.2338
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(n4ccc(N)nc4=O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	UJCLFTURGUHWNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleosides
Subclass	pyrimidine nucleosides
Direct Parent	pyrimidine nucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides amino acids azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams ketals monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines pyran carboxylic acids pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid monosaccharide pyrimidone carboxylic acid derivative pyran carboxylic acid pyrimidine saccharide organic oxide acetal ketal organonitrogen compound organopnictogen compound pyrimidine nucleoside oxane primary alcohol imidolactam organoheterocyclic compound acetamide c-glucuronide alcohol carbonic acid derivative pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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