BioLiP

PDB

BioLiP

PDB CCD ID:

X9X

Number of entries in BioLiP:

Chemical formula:

C6 H14 O6

InChI:

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+

InChIKey:

FBPFZTCFMRRESA-FBXFSONDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH](O)[CH](O)[CH](O)[CH](O)CO
CACTVS 3.385	OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
ACDLabs 12.01	OC(C(O)CO)C(O)C(O)CO
OpenEye OEToolkits 1.9.2	C(C(C(C(C(CO)O)O)O)O)O
OpenEye OEToolkits 1.9.2	C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O

Name:

D-allitol

ZINC:

ZINC000017836367

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).