DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:17:49 UTC
Update Date	2025-03-25 00:38:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02104248
Frequency	0.6
Structure
Chemical Formula	C₁₀H₂₁N₅O₂₆P₈
Molecular Mass	874.8376
SMILES	Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[PH](=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
InChI Key	IXYIORSTTRSCSX-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 pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole 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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