BioLiP

PDB

BioLiP

PDB CCD ID:

A1EVL

Number of entries in BioLiP:

Chemical formula:

C11 H16 O2

InChI:

InChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11-

InChIKey:

SGJHAJIYHXLQSR-JJSSPVMXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1C[C@H]2[C@H]3C[C@@H](O)[C@@H]4[C@H]3C[C@H]2[C@H]14
CACTVS 3.385	O[CH]1C[CH]2[CH]3C[CH](O)[CH]4[CH]3C[CH]2[CH]14
OpenEye OEToolkits 2.0.7	C1[C@@H]2[C@H]3C[C@@H]([C@@H]2[C@H]4[C@@H]1[C@@H]3C[C@H]4O)O
OpenEye OEToolkits 2.0.7	C1C2C3CC(C2C4C1C3CC4O)O

Name:

(3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-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).