DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:39 UTC
Update Date	2025-03-25 00:59:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237041
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₅N₅O₁₉P₂
Molecular Mass	723.1401
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)COC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI Key	CTBCTMULLLFHLU-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	acetals alkyl glycosides azacyclic compounds fatty acyl glycosides of mono- and disaccharides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	fatty acyl glycoside of mono- or disaccharide pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine organic oxide purine ribonucleoside diphosphate acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate alkyl glycoside

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