DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:20 UTC
Update Date	2025-03-25 00:57:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222947
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₅O₉PS
Molecular Mass	465.0719
SMILES	NC(CCSc1ncc2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1)C(=O)O
InChI Key	AHJQCVRBYJXPRW-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 alkylarylthioethers alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine alkylarylthioether organosulfur compound carboxylic acid derivative aryl thioether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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