DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:43:05 UTC
Update Date	2025-03-24 22:11:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02021962
Frequency	0.6
Structure
Chemical Formula	C₂₁H₃₀N₉O₂₃P₅
Molecular Mass	931.0143
SMILES	Nc1nc2c(ccn2C2OC(COP(=O)(O)OP(=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	WYMKXFMDNMFGHM-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones pyrrolo[2,3-d]pyrimidines pyrrolopyrimidine nucleosides and nucleotides secondary alcohols substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone 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 vinylogous amide azacycle tetrahydrofuran heteroaromatic compound pyrrolopyrimidine ribonucleoside oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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