DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:05 UTC
Update Date	2025-03-21 18:00:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00029180
Frequency	128.3
Structure
Chemical Formula	C₁₄H₂₁N₆O₈PS
Molecular Mass	464.0879
SMILES	Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(OP(=O)(O)O)C1O
InChI Key	BZTSAIXGBVBJAE-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 amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound alcohol sulfenyl compound azacycle dialkylthioether 5'-deoxy-5'-thionucleoside heteroaromatic compound thioether monoalkyl phosphate hydrocarbon derivative primary aliphatic amine 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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