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BioLiP Library

PDB CCD ID: 4SX
Number of entries in BioLiP: 6
Chemical formula: C6 H6 O5 S
InChI: InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKey: LTPDITOEDOAWRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1O)[S](O)(=O)=O
ACDLabs 12.01O=S(c1cc(c(cc1)O)O)(O)=O
OpenEye OEToolkits 1.9.2c1cc(c(cc1S(=O)(=O)O)O)O
Name:3,4-dihydroxybenzenesulfonic acid
ZINC: ZINC000001530527
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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