DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:30:30 UTC
Update Date	2025-03-24 20:21:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01420442
Frequency	0.9
Structure
Chemical Formula	C₂₆H₃₈N₁₀O₂₄P₄
Molecular Mass	998.1011
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)OC(n3cnc4c(N)ncnc43)C2O)C(O)C1O
InChI Key	XSXFWEWCTTUDMG-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	azacyclic compounds 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 3',5'-bisphosphates purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate 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

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