BioLiP

PDB

BioLiP

PDB CCD ID:

L4E

Number of entries in BioLiP:

Chemical formula:

C27 H38 O4

InChI:

InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+

InChIKey:

BSKXNBAQBKFMLO-FLPKSHQQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=CCCC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(=O)O)C)C)C)C
OpenEye OEToolkits 2.0.7	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
CACTVS 3.385	CC(C)=CCCC(/C)=C/CCC(/C)=C/CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O

Name:

geranylgeranyl dihydroxybenzoate

ZINC:

ZINC000015117529

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).