BioLiP

PDB

BioLiP

PDB CCD ID:

IJ8

Number of entries in BioLiP:

Chemical formula:

C4 H8 O3

InChI:

InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+

InChIKey:

SSYDTHANSGMJTP-ZXZARUISSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@H]([C@H](CO1)O)O
CACTVS 3.385	O[C@@H]1COC[C@@H]1O
OpenEye OEToolkits 2.0.7	C1C(C(CO1)O)O
CACTVS 3.385	O[CH]1COC[CH]1O

Name:

(3~{S},4~{R})-oxolane-3,4-diol

ZINC:

ZINC000002025033

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).