DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:36:13 UTC
Update Date	2025-03-24 21:42:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01863545
Frequency	0.7
Structure
Chemical Formula	C₁₈H₂₉N₉O₂₃P₅+
Molecular Mass	894.0059
SMILES	Nc1nc[n+](C2OC(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	YLFAOTRTCVQVOA-UHFFFAOYSA-O
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	aminotriazines azacyclic compounds halo-s-triazines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans triazinones
Substituents	amino-1,3,5-triazine pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran aminotriazine heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester halo-s-triazine monoalkyl phosphate secondary alcohol triazine hydrocarbon derivative 1,3,5-triazine purine primary amine organic nitrogen compound organic phosphoric acid derivative amine triazinone alkyl phosphate organooxygen compound

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