DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:32:18 UTC
Update Date	2025-03-21 20:58:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00419713
Frequency	4.3
Structure
Chemical Formula	C₂₇H₄₂N₆O₂₃P₂
Molecular Mass	880.1777
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	JEZIKNFJJDWQAB-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	acetamides amino acids azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams ketals monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyran carboxylic acid saccharide purine ribonucleoside diphosphate acetal ketal organonitrogen compound oxane organoheterocyclic compound acetamide c-glucuronide alcohol azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole pyran carboxylic acid or derivatives tetrahydrofuran carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester pyran secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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