DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:50 UTC
Update Date	2025-03-21 18:39:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00124239
Frequency	20.7
Structure
Chemical Formula	C₁₀H₁₆N₆O₁₀P₂
Molecular Mass	442.0403
SMILES	Nc1nc(N)c2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)n1
InChI Key	MOMBIDYSGQGRAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	nucleoside and nucleotide analogues
Direct Parent	nucleoside and nucleotide analogues
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 2',3'-dideoxyribonucleoside diphosphates purine 2'-deoxyribonucleoside diphosphates purine 3'-deoxyribonucleoside diphosphates purine nucleosides purine ribonucleoside diphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide pentose-5-phosphate imidazopyrimidine purine 2',3'-dideoxyribonucleoside diphosphate pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate 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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