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BioLiP

PDB CCD ID: YQX
Number of entries in BioLiP: 2
Chemical formula: C8 H12 O5
InChI: InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)
InChIKey: HAGOOZVJLSSXGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CCC(=O)C(=O)O)CCC(=O)O
Name:2-oxidanylideneoctanedioic 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).
  • 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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