DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:04 UTC
Update Date	2025-03-25 00:51:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185459
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₉N₅O₁₅P₂
Molecular Mass	617.1135
SMILES	Nc1ncnc2c1ncn2C1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(CO)C(O)C(O)C2O)C1O
InChI Key	JZXPAAVYLAHBAS-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	1,3-substituted cyclopentyl purine nucleosides azacyclic compounds cyclitols and derivatives cyclopentanols cyclopentyl nucleosides dialkyl ethers heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives
Substituents	ether monosaccharide imidazopyrimidine dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole cyclopentyl nucleoside alcohol azacycle purine nucleoside heteroaromatic compound cyclitol or derivatives cyclic alcohol organic pyrophosphate cyclopentanol oxacycle 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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