BioLiP

PDB

BioLiP

PDB CCD ID:

TQY

Number of entries in BioLiP:

Chemical formula:

C14 H26 O7

InChI:

InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1

InChIKey:

ZLDMSVMGGVMZGO-LPUQOGTASA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385	CCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7	CCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O
ACDLabs 12.01	C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 2.0.7	CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O

Name:

6-O-octanoyl-alpha-D-glucopyranose

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).