DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:57:46 UTC
Update Date	2025-03-24 20:06:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01342132
Frequency	1.0
Structure
Chemical Formula	C₂₅H₃₆N₁₀O₂₃P₄
Molecular Mass	968.0905
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(CO)C(OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)O2)C(O)C1O
InChI Key	PMGQUVHALZNHJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-dioxolanes acetals azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	meta-dioxolane pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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