DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:44 UTC
Update Date	2025-03-25 00:51:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184680
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₂O₅S
Molecular Mass	286.0623
SMILES	NC(CCc1ccccc1S(=O)(=O)O)=NCC(=O)O
InChI Key	VEKMWGQXGCJFHQ-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	alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds amidines arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds carbonyl compounds carboximidamides carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonic acids propargyl-type 1,3-dipolar organic compounds sulfonyls
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid organosulfonic acid benzenesulfonate amidine organosulfur compound propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound benzenesulfonyl group 1-sulfo,2-unsubstituted aromatic compound organic 1,3-dipolar compound carboximidamide aromatic homomonocyclic compound monocarboxylic acid or derivatives sulfonyl organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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