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BioLiP Library

PDB CCD ID: XH7
Number of entries in BioLiP: 3
Chemical formula: C5 H8 O2 S
InChI: InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKey: BSNQHVPRAPQLSW-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CSC[C@H]1C(=O)O
ACDLabs 12.01O=C(O)C1CSCC1
OpenEye OEToolkits 2.0.7C1CSCC1C(=O)O
CACTVS 3.385OC(=O)[CH]1CCSC1
CACTVS 3.385OC(=O)[C@H]1CCSC1
Name:(3R)-thiolane-3-carboxylic acid
ZINC: ZINC000034099551
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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