BioLiP

PDB

BioLiP

PDB CCD ID:

FQF

Number of entries in BioLiP:

Chemical formula:

C18 H32 O3

InChI:

InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m1/s1

InChIKey:

VGIZXGYRSPTVQF-LEAVJPGDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO
OpenEye OEToolkits 2.0.7	CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C
OpenEye OEToolkits 2.0.7	CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C
CACTVS 3.385	CC(C)=CCCC(/C)=C/CC/C(C)=C/COC[C@H](O)CO

Name:

(2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol

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).