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BioLiP

PDB CCD ID: SUF
Number of entries in BioLiP: 3
Chemical formula: C4 H14 O7 P2 S
InChI: InChI=1S/C4H14O7P2S/c1-14(2)3-4(5,12(6,7)8)13(9,10)11/h5,14H,3H2,1-2H3,(H2,6,7,8)(H2,9,10,11)
InChIKey: QRMZYUMGWARYEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341C[SH](C)CC(O)([P](O)(O)=O)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(O)(P(=O)(O)O)CS(C)C
Name:[2-(DIMETHYL-LAMBDA~4~-SULFANYL)-1-HYDROXYETHANE-1,1-DIYL]BIS(PHOSPHONIC 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)(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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