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BioLiP

PDB CCD ID: UZ7
Number of entries in BioLiP: 0
Chemical formula: C7 H6 O3
InChI: InChI=1S/C7H6O3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey: QIIPQYDSKRYMFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(ccc1)OC(O)=O
CACTVS 3.385OC(=O)Oc1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)OC(=O)O
Name:phenyl hydrogen carbonate
ZINC: ZINC000005555526
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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