DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:56:44 UTC
Update Date	2025-03-24 20:32:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01481761
Frequency	0.9
Structure
Chemical Formula	C₁₈H₃₄N₆O₂₇P₆
Molecular Mass	951.9898
SMILES	NCCOP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1OP(=O)(O)O
InChI Key	MSVPYGIEBWJNOK-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	1,2-diols azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine inositol phosphate pyrimidine phosphoethanolamine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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