DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:41 UTC
Update Date	2025-03-21 18:04:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052075
Frequency	62.6
Structure
Chemical Formula	C₁₆H₂₄N₆O₅S
Molecular Mass	412.1529
SMILES	Nc1ncnc2c1ncn2C1OC(CSCCCCC(N)C(=O)O)C(O)C1O
InChI Key	RVSNHHGXHFCQPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-s-alkylthio-5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine medium-chain hydroxy acid saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle dialkylthioether heteroaromatic compound thioether hydrocarbon derivative primary aliphatic amine primary amine amine fatty acyl carbonyl group amino acid heterocyclic fatty acid fatty acid organosulfur compound carboxylic acid derivative pyrimidine organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organopnictogen compound medium-chain fatty acid imidolactam azole n-substituted imidazole tetrahydrofuran oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

Showing information for DMID00052075