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BioLiP Library

PDB CCD ID: 56J
Number of entries in BioLiP: 1
Chemical formula: C16 H14 O2
InChI: InChI=1S/C16H14O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,17,18)
InChIKey: LUKYXDUWPLXNQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCC1c2ccccc2c3ccccc13
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3ccccc3C2CCC(=O)O
ACDLabs 12.01c1cc2c(cc1)c3c(C2CCC=O)cccc3
Name:3-(9H-fluoren-9-yl)propanal
ZINC: ZINC000165315609
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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