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BioLiP

PDB CCD ID: HT0
Number of entries in BioLiP: 0
Chemical formula: C10 H9 N O5
InChI: InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1
InChIKey: KNMHHKNPRPEAIG-HTQZYQBOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH]1NC(=O)O[CH]1c2ccc(O)cc2
CACTVS 3.385OC(=O)[C@@H]1NC(=O)O[C@@H]1c2ccc(O)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1C2C(NC(=O)O2)C(=O)O)O
ACDLabs 12.01O=C(O)C1NC(=O)OC1c1ccc(O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@@H]2[C@@H](NC(=O)O2)C(=O)O)O
Name:(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic 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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