DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:29 UTC
Update Date	2025-03-21 18:30:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082559
Frequency	35.0
Structure
Chemical Formula	C₁₄H₁₉N₆O₁₀P
Molecular Mass	462.09
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)CC(N)C(=O)O)C(O)C1O
InChI Key	SHFDNALVTVUMSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	5'-acylphosphoadenosines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols acyl phosphates alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine 5'-acylphosphoadenosine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound acyl phosphate

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