DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:17:47 UTC
Update Date	2025-03-24 21:34:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01820151
Frequency	0.7
Structure
Chemical Formula	C₃₀H₃₈N₁₅O₁₉P₃
Molecular Mass	1005.1681
SMILES	Nc1ncnc2c1ncn2C1OC(COCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	HHLQVGLAORMHCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans
Substituents	ether pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound 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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