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BioLiP Library

PDB CCD ID: XBE
Number of entries in BioLiP: 2
Chemical formula: C10 H8 O9 S3
InChI: InChI=1S/C10H8O9S3/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
InChIKey: FEWNRIKJXAQRJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[S](=O)(=O)c1ccc2cc(cc(c2c1)[S](O)(=O)=O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc(cc2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Name:naphthalene-1,3,7-trisulfonic 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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