DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:26:28 UTC
Update Date	2025-03-25 00:41:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02124512
Frequency	0.6
Structure
Chemical Formula	C₂₀H₃₃N₆O₂₅P₅
Molecular Mass	912.0183
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C1OC(C)C(=O)O
InChI Key	BOLUEVLHKPSUIC-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	acetamides amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group ether carboxylic acid pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives 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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