DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:27:40 UTC
Update Date	2025-03-25 01:51:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02543369
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₈N₁₁O₂₂P₅
Molecular Mass	999.0881
SMILES	CN1CCN(c2ncnc3c2ncn3C2OC(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)CC1
InChI Key	XXJIPGJDDLJBBS-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	aminopyrimidines and derivatives azacyclic compounds dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-arylpiperazines n-methylpiperazines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives secondary alcohols tetrahydrofurans trialkylamines
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide piperazine aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dialkylarylamine imidolactam tertiary amine organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine n-methylpiperazine aminopyrimidine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate 1,4-diazinane secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine n-arylpiperazine alkyl phosphate organooxygen compound

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