DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:12 UTC
Update Date	2025-03-25 00:56:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220352
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₇O₅S
Molecular Mass	427.1638
SMILES	CSCCNc1nc(NCCC(N)=O)nc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	BWRUBZZQXIOVAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	primary carboxylic acid amide carbonyl group amino acid or derivatives monosaccharide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether purine nucleoside heteroaromatic compound secondary amine carboxamide group beta amino acid or derivatives secondary aliphatic/aromatic amine oxacycle organic oxygen compound thioether secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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