BioLiP

PDB

BioLiP

PDB CCD ID:

R12

Number of entries in BioLiP:

Chemical formula:

C20 H24 O3

InChI:

InChI=1S/C20H24O3/c1-13(7-6-8-14(2)11-20(22)23)9-10-18-15(3)12-19(21)17(5)16(18)4/h6-12,21H,1-5H3,(H,22,23)/b8-6+,10-9+,13-7+,14-11+

InChIKey:

CAAFTBWHFUPDGX-OFCLTBKTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O
CACTVS 3.370	CC(=C/C=C/C(C)=C/C(O)=O)\C=C\c1c(C)cc(O)c(C)c1C
ACDLabs 12.01	O=C(O)\C=C(\C=C\C=C(\C=C\c1c(cc(O)c(c1C)C)C)C)C
OpenEye OEToolkits 1.7.2	Cc1cc(c(c(c1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)O
CACTVS 3.370	CC(=CC=CC(C)=CC(O)=O)C=Cc1c(C)cc(O)c(C)c1C

Name:

(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

DrugBank:

DB08455

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).