DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:13:08 UTC
Update Date	2025-03-25 01:45:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02509694
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₂N₈O₂₅P₆
Molecular Mass	957.9904
SMILES	Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[PH](O)(O)O[PH](=O)(=O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)O2)c(=O)n1
InChI Key	OUCGJMXSKLAYSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside polyphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative pyrimidine 2'-deoxyribonucleoside polyphosphate primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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