BioLiP

PDB

BioLiP

PDB CCD ID:

A1IVP

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1

InChIKey:

MCHWWJLLPNDHGL-KVTDHHQDSA-N

SMILES:

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

Name:

2.5-anhydro-D-mannitol;
(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)oxolane-3,4-diol

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).