DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:27 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252696
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₆O₁₀PS
Molecular Mass	508.0777
SMILES	NC(CSCC(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O)C(=O)O
InChI Key	URJODKNPMJBKOQ-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 azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate n-arylamide alpha-amino acid or derivatives imidazopyrimidine organosulfur compound 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 sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate cysteine or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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