BioLiP

PDB

BioLiP

PDB CCD ID:

INS

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

InChIKey:

CDAISMWEOUEBRE-GPIVLXJGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1(C(C(C(C(C1O)O)O)O)O)O
ACDLabs 10.04	OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.341	O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O

Name:

1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE;
MYO-INOSITOL

ChEMBL:

CHEMBL1222251

DrugBank:

DB13178

ZINC:

ZINC000100018867

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).