BioLiP

PDB

BioLiP

PDB CCD ID:

HBE

Number of entries in BioLiP:

Chemical formula:

C7 H12 O5

InChI:

InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3+,4+,5-,6+,7-/m1/s1

InChIKey:

YQLWKYQDOQEWRD-URFJBAFZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
CACTVS 3.385	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]2O[C@@H]12
OpenEye OEToolkits 2.0.6	C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O
OpenEye OEToolkits 2.0.6	C(C1C(C(C(C2C1O2)O)O)O)O

Name:

(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-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).