BioLiP

PDB

BioLiP

PDB CCD ID:

56J

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	OC(=O)CCC1c2ccccc2c3ccccc13
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)-c3ccccc3C2CCC(=O)O
ACDLabs 12.01	c1cc2c(cc1)c3c(C2CCC=O)cccc3

Name:

3-(9H-fluoren-9-yl)propanal

ZINC:

ZINC000165315609

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).