DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:45:39 UTC
Update Date	2025-03-25 01:33:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02445438
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₇N₁₀O₂₂P₃
Molecular Mass	946.1297
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(CO)C(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)(O)O)(C(=O)O)C2O)C(O)C1O
InChI Key	ICXKSEPWAXMVFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols 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 beta-hydroxy acid saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid organic pyrophosphate oxacycle 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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