BioLiP

PDB

BioLiP

PDB CCD ID:

FU4

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4

InChI:

InChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4+,5+,6-/m0/s1

InChIKey:

KBVSUNBCTPQWJL-KCDKBNATSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[CH]1OC[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	CC1C(C(C(CO1)O)O)O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O
ACDLabs 10.04	OC1C(OCC(O)C1O)C
CACTVS 3.341	C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O

Name:

2,6-ANHYDRO-1-DEOXY-D-GALACTITOL

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).