DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:13 UTC
Update Date	2025-03-25 00:54:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206315
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₁N₃O₄S₂
Molecular Mass	301.0191
SMILES	NC(CSC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
InChI Key	JBCWMFBFNJQDSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	cysteine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds sulfenyl compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound organosulfur compound organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium nitrobenzene nitroaromatic compound sulfenyl compound organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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