RefMet Compound Details

RefMet IDRM0136238
MW structure38370 (View MW Metabolite Database details)
RefMet nameTaurocyamine   Species distribution   Sample source distribution
Systematic name2-[(diaminomethylidene)amino]ethane-1-sulfonic acid
SMILESC(CS(=O)(=O)O)NC(=N)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass167.036464 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC3H9N3O3SView other entries in RefMet with this formula
InChIInChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChIKeyJKLRIMRKZBSSED-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassSulfonic acids
Sub ClassSulfonic acids
Pubchem CID68340
ChEBI ID17228
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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