DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:08 UTC
Update Date	2025-03-21 18:40:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00129744
Frequency	19.6
Structure
Chemical Formula	C₁₅H₂₀N₅O₁₁P
Molecular Mass	477.0897
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCC2OC(=O)C(O)C2O)C(O)C1O
InChI Key	DDJJFAIBZODPGB-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	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acid esters dialkyl phosphates gamma butyrolactones heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives 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	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine lactone saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound gamma butyrolactone oxacycle dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester carboxylic acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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