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BioLiP

PDB CCD ID: OSL
Number of entries in BioLiP: 0
Chemical formula: C3 H6 O7 S
InChI: InChI=1S/C3H6O7S/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
InChIKey: WBBSXOGBMVRPSH-UWTATZPHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[CH](CO[S](O)(=O)=O)C(O)=O
CACTVS 3.370O[C@H](CO[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=S(=O)(OCC(O)C(=O)O)O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)O)OS(=O)(=O)O
OpenEye OEToolkits 1.7.0C([C@H](C(=O)O)O)OS(=O)(=O)O
Name:(2R)-2-hydroxy-3-(sulfooxy)propanoic acid
ZINC: ZINC000013532377
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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