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BioLiP Library

PDB CCD ID: 4NS
Number of entries in BioLiP: 3
Chemical formula: C6 H5 N O6 S
InChI: InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
InChIKey: JBGHTSSFSSUKLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)O
Name:4-nitrophenyl sulfate;
4-nitrophenyl hydrogen sulfate
ChEMBL: CHEMBL609695
ZINC: ZINC000001633996
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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