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BioLiP Library

PDB CCD ID: VZ7
Number of entries in BioLiP: 0
Chemical formula: C11 H13 Cl O3
InChI: InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey: GZOXMJOUUULDTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(C)(c1cccc(c1)Cl)COC(=O)O
OpenEye OEToolkits 2.0.7CC(C)(COC(=O)O)c1cccc(c1)Cl
CACTVS 3.385CC(C)(COC(O)=O)c1cccc(Cl)c1
Name:2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
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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