DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 05:08:06 UTC
Update Date	2025-03-24 14:12:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00789958
Frequency	1.9
Structure
Chemical Formula	C₂₅H₃₆N₇O₂₃P₃
Molecular Mass	895.1075
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCC2OC(OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C(O)C2O)C(O)C1O
InChI Key	CCYQKKQKJDBWOO-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 dialkyl phosphates heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidine ribonucleoside diphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle dialkyl phosphate pyrimidine ribonucleoside diphosphate phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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