DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:09 UTC
Update Date	2025-03-25 01:01:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247491
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₅O₁₅P₂
Molecular Mass	601.0822
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2OC(C(=O)O)C(O)C(O)C2O)C(CP(=O)(O)O)C1O
InChI Key	NXCFCGCIVBPDMA-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	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl phosphates glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds oxanes primary amines purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives pentose phosphate amino acid or derivatives amino acid pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyran carboxylic acid pyrimidine beta-hydroxy acid organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound oxane imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound hydroxy acid oxacycle dialkyl phosphate monocarboxylic acid or derivatives phosphoric acid ester pyran secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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