BioLiP

PDB

BioLiP

PDB CCD ID:

PJ5

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4

InChI:

InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1

InChIKey:

PHKHGSSZAJVEQK-BXKVDMCESA-N

SMILES:

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

Name:

(1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-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).