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BioLiP

PDB CCD ID: 3SS
Number of entries in BioLiP: 1
Chemical formula: C3 H6 O2 S2
InChI: InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)
InChIKey: CXXDUKKBFUFJDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CSS)C(=O)O
CACTVS 3.370OC(=O)CCSS
ACDLabs 12.01O=C(O)CCSS
Name:3-disulfanylpropanoic 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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