DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:53 UTC
Update Date	2025-03-21 18:33:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097784
Frequency	28.2
Structure
Chemical Formula	C₂₀H₃₀N₃O₁₇P
Molecular Mass	615.1313
SMILES	CC(=O)NC1C(O)CC(OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)(C(=O)O)OC1C(O)C(O)COP(=O)(O)O
InChI Key	QQNNDDSMOZLFEL-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 azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives ketals lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound monosaccharide pyrimidone carboxylic acid derivative pyran carboxylic acid pyrimidine saccharide organic oxide acetal ketal organonitrogen compound organopnictogen compound pyrimidine nucleoside oxane organoheterocyclic compound acetamide c-glucuronide alcohol vinylogous amide 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 phosphoric acid ester pyran monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00097784