BioLiP

PDB

BioLiP

PDB CCD ID:

HQ8

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1

InChIKey:

IMPKVMRTXBRHRB-MBMOQRBOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H]1C[C@@H](O)[C@H](O)C(O)[C@H]1O
OpenEye OEToolkits 2.0.6	C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O
CACTVS 3.385	O[CH]1C[CH](O)[CH](O)C(O)[CH]1O
OpenEye OEToolkits 2.0.6	C1C(C(C(C(C1O)O)O)O)O

Name:

(1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol

ChEMBL:

CHEMBL1950778

ZINC:

ZINC000004097493

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).