DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:50 UTC
Update Date	2025-03-25 00:59:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237448
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₈N₅O₇P
Molecular Mass	423.0944
SMILES	Nc1nc(-c2ccccc2)nc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O
InChI Key	CBCRGCBOVTXLPY-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	azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety pentose phosphate monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide 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 oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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