DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:35 UTC
Update Date	2025-03-21 18:37:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00114190
Frequency	23.1
Structure
Chemical Formula	C₂₄H₃₁N₇O₁₃P₂
Molecular Mass	687.1455
SMILES	Cc1cc2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C(O)C3O)c2cc1C
InChI Key	KJEAWBNEHOPEAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	benzimidazole ribonucleosides and ribonucleotides
Subclass	benzimidazole ribonucleosides and ribonucleotides
Direct Parent	benzimidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds benzenoids benzimidazoles heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound benzimidazole imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle 1-ribofuranosylbenzimidazole tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine benzenoid primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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