DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:44 UTC
Update Date	2025-03-21 18:36:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112128
Frequency	23.7
Structure
Chemical Formula	C₁₀H₁₅N₅O₁₀P₂
Molecular Mass	427.0294
SMILES	Nc1ncnc2c1cnn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O
InChI Key	YLRORZXRCQBKSO-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 imidolactams monoalkyl phosphates monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary amines pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate pentose-5-phosphate pyrazole pyrimidine organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound 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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