DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:01 UTC
Update Date	2025-03-21 18:40:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00129493
Frequency	19.6
Structure
Chemical Formula	C₁₁H₁₅N₅O₉P₂
Molecular Mass	423.0345
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C2OP(=O)(O)OCC21
InChI Key	OPPJKCMXSMDFAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine deoxyribonucleoside 3',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate azacycle tetrahydrofuran heteroaromatic compound purine deoxyribonucleoside 3',5'-bisphosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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