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BioLiP Library

PDB CCD ID: 98W
Number of entries in BioLiP: 0
Chemical formula: C10 H10 O5
InChI: InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
InChIKey: DOSDTCPDBPRFHQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC(=O)c1cc(cc(c1)O)C(=O)OC
CACTVS 3.385COC(=O)c1cc(O)cc(c1)C(=O)OC
Name:dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
ZINC: ZINC000000032327
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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