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BioLiP Library

PDB CCD ID: ZHN
Number of entries in BioLiP: 1
Chemical formula: C22 H34 O5
InChI: InChI=1S/C22H34O5/c1-3-5-7-8-9-10-12-19(24)22-17(14-18(23)16-20(22)25)15-21(26)27-13-11-6-4-2/h14,16,23,25H,3-13,15H2,1-2H3
InChIKey: FCKDHZVFIMRCNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC
ACDLabs 12.01O=C(c1c(cc(O)cc1O)CC(=O)OCCCCC)CCCCCCCC
Name:pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
ChEMBL: CHEMBL5278029
ZINC: ZINC000101371617
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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