DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:43 UTC
Update Date	2025-03-21 18:06:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061542
Frequency	50.6
Structure
Chemical Formula	C₁₃H₁₉N₆O₈P
Molecular Mass	418.1002
SMILES	CC(NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=O)O
InChI Key	FRQHIZTYMNUOJX-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 alanine and derivatives alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphoramides organopnictogen compounds oxacyclic compounds phosphate esters phosphoric monoester monoamides primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organic phosphoric acid amide organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol phosphoric monoester monoamide azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol alanine or derivatives hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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