DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:58 UTC
Update Date	2025-03-25 00:47:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160124
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₈N₈O₁₃P₂
Molecular Mass	650.1251
SMILES	Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC3CC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c(=O)n1
InChI Key	AALMGHQKEDLBCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	cyclopentyl nucleosides
Direct Parent	cyclopentyl nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-substituted cyclopentyl purine nucleosides azacyclic compounds cyclic alcohols and derivatives cyclopentanols heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides purines and purine derivatives pyrimidine ribonucleoside diphosphates pyrimidones tetrahydrofurans
Substituents	pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole cyclopentyl nucleoside alcohol carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound cyclic alcohol organic pyrophosphate cyclopentanol oxacycle 1,3-substituted cyclopentyl purine nucleoside pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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