DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:48:15 UTC
Update Date	2025-03-25 01:34:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02451542
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₁₀O₂₁P₅
Molecular Mass	900.0197
SMILES	Nc1ncnc2c1cnn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)CC2O)C(O)C1O
InChI Key	NTFUVUWWHYGZEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 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 oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide pentose-5-phosphate imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate pyrazole pyrimidine saccharide organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle 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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