BioLiP

PDB

BioLiP

PDB CCD ID:

7D2

Number of entries in BioLiP:

Chemical formula:

C8 H14 O5

InChI:

InChI=1S/C8H14O5/c9-2-8-1-3(8)4(10)5(11)6(12)7(8)13/h3-7,9-13H,1-2H2/t3-,4+,5+,6-,7-,8+/m1/s1

InChIKey:

ULOOKVKTDMQWTG-JMELQFKFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO
CACTVS 3.385	OC[C@@]12C[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]2O
CACTVS 3.385	OC[C]12C[CH]1[CH](O)[CH](O)[CH](O)[CH]2O
OpenEye OEToolkits 2.0.6	C1C2C1(C(C(C(C2O)O)O)O)CO

Name:

(1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol

ZINC:

ZINC000584905452

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).