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BioLiP

PDB CCD ID: P6S
Number of entries in BioLiP: 1
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey: NJAPCAIWQRPQPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)O
ACDLabs 12.01C(OC(=O)O)c1ccccc1
CACTVS 3.385OC(=O)OCc1ccccc1
Name:benzyl hydrogen carbonate
ZINC: ZINC000005933548
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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