DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:56 UTC
Update Date	2025-03-25 01:02:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253731
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₂N₅O₈P
Molecular Mass	467.1206
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCCc2ccccc2O)C(O)C1O
InChI Key	BHFDTLCFFONKRQ-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids azacyclic compounds benzene and substituted derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety pentose phosphate purine ribonucleoside monophosphate 1-hydroxy-2-unsubstituted benzenoid monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol phenol hydrocarbon derivative benzenoid purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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