DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:14 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160683
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₅O₉PS
Molecular Mass	463.0563
SMILES	Nc1ncnc2c1ncn2C1OC(CSCCC(=O)C(=O)O)C(OP(=O)(O)O)C1O
InChI Key	WWJOBZONIHCJJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	5'-s-alkylthio-5'-deoxyribonucleosides alpha-hydroxy ketones alpha-keto acids and derivatives amino acids azacyclic compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	carboxylic acid amino acid or derivatives monosaccharide imidazopyrimidine alpha-hydroxy ketone ketone saccharide organonitrogen compound alpha-keto acid hydroxy fatty acid organoheterocyclic compound alcohol sulfenyl compound azacycle dialkylthioether 5'-deoxy-5'-thionucleoside heteroaromatic compound thioether monoalkyl phosphate keto acid hydrocarbon derivative primary amine amine fatty acyl carbonyl group pentose phosphate amino acid organosulfur compound carboxylic acid derivative pyrimidine organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole ribonucleoside 3'-phosphate 5'-deoxyribonucleoside tetrahydrofuran oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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