DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:31 UTC
Update Date	2025-03-21 18:36:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109190
Frequency	24.5
Structure
Chemical Formula	C₁₀H₁₄N₅O₉PS
Molecular Mass	411.025
SMILES	Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OS(=O)(=O)O)O1
InChI Key	YKGPRZZEYCMHAF-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 heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic sulfuric acids and derivatives organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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