BioLiP

PDB

BioLiP

PDB CCD ID:

6F8

Number of entries in BioLiP:

Chemical formula:

C21 H32 O2

InChI:

InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-

InChIKey:

RMTXUPIIESNLPW-UTOQUPLUSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O
OpenEye OEToolkits 2.0.4	CCCC=CCC=CCCCCCCCc1cccc(c1O)O
CACTVS 3.385	CCCC=CCC=CCCCCCCCc1cccc(O)c1O
OpenEye OEToolkits 2.0.4	CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O
CACTVS 3.385	CCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1O

Name:

3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol

ZINC:

ZINC000017158175

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).