BioLiP

PDB

BioLiP

PDB CCD ID:

ASO

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1

InChIKey:

MPCAJMNYNOGXPB-SLPGGIOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341	OC[CH]1OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C1C(C(C(C(O1)CO)O)O)O
ACDLabs 10.04	OC1C(OCC(O)C1O)CO

Name:

1,5-anhydro-D-glucitol;
1,5-ANHYDROSORBITOL

ChEMBL:

CHEMBL344637

ZINC:

ZINC000004097377

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).