DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:02 UTC
Update Date	2025-03-25 00:54:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205908
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₄O₉S
Molecular Mass	382.0794
SMILES	NC(=O)c1ncn(C2OC(CO)C(COS(=O)(=O)O)C(O)C2O)c1N
InChI Key	ZSUFCEIEBRJLID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	carboxylic acid derivatives
Direct Parent	2-heteroaryl carboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkyl sulfates amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines primary carboxylic acid amides secondary alcohols sulfuric acid monoesters vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group sulfuric acid monoester aromatic heteromonocyclic compound amino acid or derivatives monosaccharide 2-heteroaryl carboxamide saccharide organic oxide imidazole alkyl sulfate organonitrogen compound organopnictogen compound imidazole-4-carbonyl group oxane primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide organic sulfuric acid or derivatives azacycle heteroaromatic compound oxacycle organic oxygen compound secondary alcohol sulfate-ester hydrocarbon derivative primary amine organic nitrogen compound sulfuric acid ester amine organooxygen compound

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