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BioLiP

PDB CCD ID: DTO
Number of entries in BioLiP: 3
Chemical formula: C4 H10 O3 S2
InChI: InChI=1S/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKey: MFLGZMZEMVZQCC-QWWZWVQMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OSC[C@@H](O)[C@H](O)CS
ACDLabs 10.04SCC(O)C(O)CSO
OpenEye OEToolkits 1.5.0C(C(C(CSO)O)O)S
CACTVS 3.341OSC[CH](O)[CH](O)CS
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](CSO)O)O)S
Name:1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL
ZINC: ZINC000006360530
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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