DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:12 UTC
Update Date	2025-03-25 00:48:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167500
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₆N₆O₁₃P₂
Molecular Mass	596.1033
SMILES	CC(=O)NC1C=CC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC1O
InChI Key	GQHWOEBSWXUTSR-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	1,2-diols acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives hemiacetals 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 monophosphates purines and purine derivatives pyrans pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound hemiacetal imidolactam organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate pyran secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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