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BioLiP

PDB CCD ID: X1S
Number of entries in BioLiP: 2
Chemical formula: C3 H6 O5 S
InChI: InChI=1S/C3H6O5S/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H,6,7,8)
InChIKey: OURSFPZPOXNNKX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)CC[S](O)(=O)=O
OpenEye OEToolkits 1.6.1C(CS(=O)(=O)O)C(=O)O
ACDLabs 10.04O=C(O)CCS(=O)(=O)O
Name:3-SULFOPROPANOIC ACID
ZINC: ZINC000001848385
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).
  • 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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