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BioLiP Library

PDB CCD ID: EMJ
Number of entries in BioLiP: 1
Chemical formula: C17 H26 O4
InChI: InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
InChIKey: IRSFLDGTOHBADP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
ACDLabs 12.01O=C1C=C(O)C(=O)C(=C1O)CCCCCCCCCCC
Name:2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
ChEMBL: CHEMBL221137
ZINC: ZINC000001531764
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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