BioLiP

PDB

BioLiP

PDB CCD ID:

PAV

Number of entries in BioLiP:

Chemical formula:

C5 H10 O5

InChI:

InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1

InChIKey:

BVIYGXUQVXBHQS-IUYQGCFVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@@]1(C([C@H](CO1)O)(O)O)O
CACTVS 3.341	C[C]1(O)OC[CH](O)C1(O)O
CACTVS 3.341	C[C@@]1(O)OC[C@H](O)C1(O)O
ACDLabs 10.04	OC1(O)C(O)(OCC1O)C
OpenEye OEToolkits 1.5.0	CC1(C(C(CO1)O)(O)O)O

Name:

(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran

ChEMBL:

CHEMBL1235140

DrugBank:

DB04346

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).