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BioLiP

PDB CCD ID: UJP
Number of entries in BioLiP: 8
Chemical formula: C5 H8 O2 S
InChI: InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKey: MZOYMQRKTJRHGJ-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(O)(C1CCCS1)=O
OpenEye OEToolkits 2.0.7C1C[C@@H](SC1)C(=O)O
CACTVS 3.385OC(=O)[CH]1CCCS1
OpenEye OEToolkits 2.0.7C1CC(SC1)C(=O)O
CACTVS 3.385OC(=O)[C@H]1CCCS1
Name:(2R)-thiolane-2-carboxylic acid
ZINC: ZINC000000900769
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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