BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0F

Number of entries in BioLiP:

Chemical formula:

C5 H8 F2 O3

InChI:

InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1

InChIKey:

XLFTWOXMFCMHBS-QWWZWVQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C([C@@H]([C@H](O1)CO)O)(F)F
CACTVS 3.385	OC[C@H]1OCC(F)(F)[C@@H]1O
OpenEye OEToolkits 2.0.7	C1C(C(C(O1)CO)O)(F)F
CACTVS 3.385	OC[CH]1OCC(F)(F)[CH]1O

Name:

(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol

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).