BioLiP

PDB

BioLiP

PDB CCD ID:

KTE

Number of entries in BioLiP:

Chemical formula:

C10 H20 O9

InChI:

InChI=1S/C10H20O9/c11-1-5(14)6(15)3-18-10(4-13)9(17)8(16)7(2-12)19-10/h5-9,11-17H,1-4H2/t5-,6+,7+,8+,9-,10+/m0/s1

InChIKey:

CPODZCVBMHISBV-NSTDSTDXSA-N

SMILES:

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

Name:

(2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-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).