BioLiP

PDB

BioLiP

PDB CCD ID:

ZHG

Number of entries in BioLiP:

Chemical formula:

C10 H14 O5

InChI:

InChI=1S/C10H14O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3-5,11-15H,1-2H3/t4-,5-/m1/s1

InChIKey:

HTMUMTIHRQAXFS-RFZPGFLSSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](O)c1c(O)cc(O)c([CH](C)O)c1O
OpenEye OEToolkits 2.0.7	CC(c1c(cc(c(c1O)C(C)O)O)O)O
OpenEye OEToolkits 2.0.7	C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O
CACTVS 3.385	C[C@@H](O)c1c(O)cc(O)c([C@@H](C)O)c1O

Name:

2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol

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).