DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:22 UTC
Update Date	2025-03-25 00:45:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151994
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₅N₄O₉P
Molecular Mass	366.0577
SMILES	NC(=O)c1cn(C2OC(CO)C(O)C2OP(=O)(O)O)c(=O)nc1N
InChI Key	RQDBUVHQSXOXBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines primary carboxylic acid amides pyrimidinecarboxylic acids and derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives pyrimidone carboxylic acid derivative pyrimidine organic oxide organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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