RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0139007
RefMet nameS-Cysteinosuccinic acid
Systematic name2-[(2-amino-2-carboxyethyl)sulfanyl]butanedioic acid
SynonymsPubChem Synonyms
Exact mass237.030708 (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
FormulaC7H11NO6SView other entries in RefMet with this formula
Molecular descriptors
Molfile43828 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyXPKKFTKCRVIDAG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(C(C(=O)O)SCC(C(=O)O)N)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of S-Cysteinosuccinic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting S-Cysteinosuccinic acid
External Links
Pubchem CID169591
ChEBI ID157780
HMDB IDHMDB0029418
Chemspider ID148313
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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