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BioLiP

PDB CCD ID: 2PB
Number of entries in BioLiP: 1
Chemical formula: C7 H5 O5 P
InChI: InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2
InChIKey: BTPFLIXGJHTRNG-UHFFFAOYSA-L
SMILES:
SoftwareSMILES
CACTVS 3.341[O-]C(=O)c1ccccc1O[PH]([O-])=O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-]
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)[O-])OP(=O)[O-]
ACDLabs 10.04O=P([O-])Oc1ccccc1C([O-])=O
Name:2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE
DrugBank: DB04340
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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