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BioLiP Library

PDB CCD ID: 8I6
Number of entries in BioLiP: 2
Chemical formula: C16 H24 O4
InChI: InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20/h10-11,17-18H,2-9H2,1H3,(H,19,20)
InChIKey: PTAHKOJJUSGQFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCc1cc(O)cc(O)c1C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCc1cc(cc(c1C(=O)O)O)O
Name:2-nonyl-4,6-bis(oxidanyl)benzoic acid
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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