DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:41 UTC
Update Date	2025-03-21 18:38:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121606
Frequency	21.3
Structure
Chemical Formula	C₁₃H₁₉N₆O₈P
Molecular Mass	418.1002
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CC(N)C(=O)O)C(O)C1O
InChI Key	QKVMLKICXVNWBP-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 alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organophosphorus compounds organopnictogen compounds oxacyclic compounds phosphonic acid esters 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 phosphonic acid ester saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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