BioLiP

PDB

BioLiP

PDB CCD ID:

FE0

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4

InChI:

InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1

InChIKey:

KWAKQXVHPAXYRX-ZXXMMSQZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O
CACTVS 3.385	OC[C@@H]1[C@H](O)C[C@H](O)[C@H]1O
CACTVS 3.385	OC[CH]1[CH](O)C[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C1C(C(C(C1O)O)CO)O

Name:

(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol

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).