DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:34 UTC
Update Date	2025-03-25 00:50:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179804
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₄O₁₀PS
Molecular Mass	444.0716
SMILES	CS(=O)(=O)CCNC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N
InChI Key	LYNYGXGJHPHJQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines secondary alcohols secondary carboxylic acid amides sulfones tetrahydrofurans vinylogous amides
Substituents	carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate organosulfur compound carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide sulfonyl organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound sulfone

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