BioLiP

PDB

BioLiP

PDB CCD ID:

TF8

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4-,5+/m0/s1

InChIKey:

NBFWIISVIFCMDK-NEEWWZBLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C(C(C(C(=O)O)O)O)O)O
OpenEye OEToolkits 2.0.7	C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O
CACTVS 3.385	C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O

Name:

(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid;
(2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid

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).