DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:38:18 UTC
Update Date	2025-03-24 21:43:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01868336
Frequency	0.7
Structure
Chemical Formula	C₂₁H₂₈N₁₀O₂₂P₄
Molecular Mass	896.033
SMILES	Nc1nc(=O)c2c([nH]c(=O)n2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c(=O)[nH]1
InChI Key	FNALGMKOCXKSIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-diazepines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazodiazepines imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine imidazo-meta-diazepine imidazodiazepine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole meta-diazepine alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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