DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:14 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160703
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₈N₅O₁₁PS
Molecular Mass	519.0461
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)Oc2cccc(OS(=O)(=O)O)c2)C(O)C1O
InChI Key	YEVXAFMXWSFZBX-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	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phenoxy compounds phenylsulfates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfuric acid monoesters tetrahydrofurans
Substituents	monocyclic benzene moiety sulfuric acid monoester pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine phenylsulfate saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound arylsulfate imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol sulfate-ester hydrocarbon derivative benzenoid purine primary amine organic nitrogen compound phenoxy compound sulfuric acid ester organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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