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BioLiP

PDB CCD ID: XYM
Number of entries in BioLiP: 3
Chemical formula: C5 H6 O5 S
InChI: 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-
InChIKey: IXLZHTPCCBDKBW-IWQZZHSRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(=O)O)SC=C(C(=O)O)O
CACTVS 3.352OC(=O)CS\C=C(/O)C(O)=O
OpenEye OEToolkits 1.7.0C(C(=O)O)S/C=C(/C(=O)O)\O
CACTVS 3.352OC(=O)CSC=C(O)C(O)=O
Name:(2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid;
(2Z)-2-hydroxy-3-(carboxymethylthio)propenoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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