XYM

(2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid

Created:2010-02-05
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count16
Aromatic Bond Count0
2D diagram of XYM

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Chemical Component Summary

Name(2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid
Synonyms(2Z)-2-hydroxy-3-(carboxymethylthio)propenoic acid
Systematic Name (OpenEye OEToolkits)(Z)-3-(carboxymethylsulfanyl)-2-hydroxy-prop-2-enoic acid
FormulaC5 H6 O5 S
Molecular Weight178.163
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352OC(=O)CSC=C(O)C(O)=O
SMILESOpenEye OEToolkits1.7.0C(C(=O)O)SC=C(C(=O)O)O
Canonical SMILESCACTVS3.352 OC(=O)CS\C=C(/O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 C(C(=O)O)S/C=C(/C(=O)O)\O
InChIInChI1.03 InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1,6H,2H2,(H,7,8)(H,9,10)/b3-1-
InChIKeyInChI1.03 IXLZHTPCCBDKBW-IWQZZHSRSA-N

Related Resource References

Resource NameReference
PubChem 53361960