DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:44 UTC
Update Date	2025-03-21 18:36:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112129
Frequency	23.7
Structure
Chemical Formula	C₁₆H₂₄N₅O₁₉P₃
Molecular Mass	683.0278
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O
InChI Key	FWQQLXMFGLHXOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates 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 purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyran carboxylic acid pyrimidine beta-hydroxy acid organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives phosphoric acid ester pyran monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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