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BioLiP

PDB CCD ID: LLQ
Number of entries in BioLiP: 8
Chemical formula: C3 H8 O5 S
InChI: InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m0/s1
InChIKey: YPFUJZAAZJXMIP-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C(CS(=O)(=O)O)O)O
OpenEye OEToolkits 2.0.7C([C@@H](CS(=O)(=O)O)O)O
CACTVS 3.385OC[C@H](O)C[S](O)(=O)=O
CACTVS 3.385OC[CH](O)C[S](O)(=O)=O
Name:(2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid
ZINC: ZINC000001603749
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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