DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:15:00 UTC
Update Date	2025-03-24 22:46:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01240062
Frequency	1.1
Structure
Chemical Formula	C₁₆H₂₈N₅O₂₇P₅S
Molecular Mass	908.938
SMILES	Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2OP(=O)(O)O)C(O)C1O
InChI Key	OBUORXLSUIHORT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alkyl sulfates azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfuric acid diesters tetrahydrofurans
Substituents	monosaccharide imidazopyrimidine inositol phosphate pyrimidine saccharide organic oxide sulfuric acid diester aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound cyclitol or derivatives oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound sulfuric acid ester organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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