BioLiP

PDB

BioLiP

PDB CCD ID:

OYO

Number of entries in BioLiP:

Chemical formula:

C8 H14 O5

InChI:

InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1

InChIKey:

JAUQZVBVVJJRKM-JWXFUTCRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(OC2C(C(OC2O1)CO)O)C
CACTVS 3.385	CC1(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O1
CACTVS 3.385	CC1(C)O[CH]2O[CH](CO)[CH](O)[CH]2O1
OpenEye OEToolkits 2.0.7	CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)CO)O)C

Name:

(3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

ZINC:

ZINC000000120392

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).