BioLiP

PDB

BioLiP

PDB CCD ID:

7LQ

Number of entries in BioLiP:

Chemical formula:

C7 H12 O3

InChI:

InChI=1S/C7H12O3/c8-4-5-2-1-3-6(9)7(5)10/h1,3,5-10H,2,4H2/t5-,6-,7-/m1/s1

InChIKey:

JIULRVIFQNXLCR-FSDSQADBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@H]1CC=C[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6	C1C=C[C@H]([C@@H]([C@H]1CO)O)O
CACTVS 3.385	OC[CH]1CC=C[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6	C1C=CC(C(C1CO)O)O

Name:

(1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-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).