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BioLiP

PDB CCD ID: H00
Number of entries in BioLiP: 0
Chemical formula: C4 H8 O2 S
InChI: InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
InChIKey: DTRIDVOOPAQEEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CC(=O)O)CS
CACTVS 3.385OC(=O)CCCS
ACDLabs 12.01C(C(=O)O)CCS
Name:4-sulfanylbutanoic acid
ChEMBL: CHEMBL1076479
ZINC: ZINC000005112980
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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