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BioLiP

PDB CCD ID: 3SL
Number of entries in BioLiP: 5
Chemical formula: C3 H6 O6 S
InChI: InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey: CQQGIWJSICOUON-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH](C[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)S(=O)(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)O)S(=O)(=O)O
CACTVS 3.341O[C@@H](C[S](O)(=O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(O)CS(=O)(=O)O
Name:(2R)-3-SULFOLACTIC ACID;
(R)-2-HYDROXY-3-SULFOPROPANOIC ACID
DrugBank: DB02334
ZINC: ZINC000004099158
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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