BioLiP

PDB

BioLiP

PDB CCD ID:

YGX

Number of entries in BioLiP:

Chemical formula:

C7 H14 O6

InChI:

InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1

InChIKey:

QFYQIWDMMSKNFF-OUIVRQFQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(C1O)O)O)O)O)O
CACTVS 3.385	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C(C1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O
CACTVS 3.385	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O

Name:

(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

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).