DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:11 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160574
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₅N₉O₁₂P₂
Molecular Mass	645.1098
SMILES	Nc1ncnc2c1ccn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C2O)C(O)C1O
InChI Key	XACFVRHXCXMFTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrrolopyrimidine nucleosides and nucleotides
Subclass	pyrrolopyrimidine nucleosides and nucleotides
Direct Parent	pyrrolopyrimidine nucleosides and nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxetanes pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives pyrrolo[2,3-d]pyrimidines secondary alcohols substituted pyrroles tetrahydrofurans
Substituents	pentose phosphate monosaccharide pentose-5-phosphate substituted pyrrole imidazopyrimidine pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound pyrrolopyrimidine ribonucleoside organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrrole oxetane secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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