DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:15 UTC
Update Date	2025-03-25 00:47:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160745
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₅O₁₆P₃
Molecular Mass	609.0274
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OC(=O)C(O)COP(=O)(O)O)C(CP(=O)(O)O)C2O)c(=O)[nH]1
InChI Key	XQPRDKYLHJMQIO-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	acyl phosphates amino acids and derivatives azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones secondary alcohols sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam pentose phosphate amino acid or derivatives pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide glyceric_acid aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate acyl phosphate

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