BioLiP

PDB

BioLiP

PDB CCD ID:

Z6W

Number of entries in BioLiP:

Chemical formula:

C14 H28 O6

InChI:

InChI=1S/C14H28O6/c1-2-3-4-5-6-7-10(16)8-11-12(17)13(18)14(19,9-15)20-11/h10-13,15-19H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1

InChIKey:

ACFOUPJNYNVPQE-XGFWRYKXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
ACDLabs 12.01	OC1C(O)C(OC1(O)CO)CC(O)CCCCCCC
CACTVS 3.370	CCCCCCC[C@@H](O)C[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6	CCCCCCCC(CC1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.370	CCCCCCC[CH](O)C[CH]1O[C](O)(CO)[CH](O)[CH]1O

Name:

(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose

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).