DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:37:24 UTC
Update Date	2025-03-24 20:24:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01436714
Frequency	0.9
Structure
Chemical Formula	C₂₃H₃₄N₁₀O₁₈P₄S
Molecular Mass	894.0724
SMILES	CSCCNc1ncnc2c1ncn2C1OC(COP(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	XZJMKJRSVLDXJC-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	azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic phosphites organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine organosulfur compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound purine ribonucleoside triphosphate azole n-substituted imidazole alcohol organic phosphite sulfenyl compound azacycle tetrahydrofuran dialkylthioether purine nucleoside heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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