BioLiP

PDB

BioLiP

PDB CCD ID:

7D1

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4

InChI:

InChI=1S/C6H12O4/c7-3-5-6(9)4(8)1-2-10-5/h4-9H,1-3H2/t4-,5-,6+/m1/s1

InChIKey:

QFHKFGOUFKUPNX-PBXRRBTRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CO[C@@H]([C@H]([C@@H]1O)O)CO
CACTVS 3.385	OC[C@H]1OCC[C@@H](O)[C@@H]1O
CACTVS 3.385	OC[CH]1OCC[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6	C1COC(C(C1O)O)CO

Name:

1,5-anhydro-2-deoxy-D-arabino-hexitol;
(2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol;
1,2-dideoxy-D-mannopyranose

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).