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BioLiP

PDB CCD ID: 313
Number of entries in BioLiP: 4
Chemical formula: C4 H10 O2 S
InChI: InChI=1S/C4H10O2S/c1-7(2)3-4(5)6/h7H,3H2,1-2H3,(H,5,6)
InChIKey: GBHLSDCOGOHDJL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CS(C)C
CACTVS 3.341C[SH](C)CC(O)=O
OpenEye OEToolkits 1.5.0CS(C)CC(=O)O
Name:(dimethyl-lambda~4~-sulfanyl)acetic acid
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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