BioLiP

PDB

BioLiP

PDB CCD ID:

FOC

Number of entries in BioLiP:

Chemical formula:

C6 H14 O5

InChI:

InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1

InChIKey:

SKCKOFZKJLZSFA-KCDKBNATSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0	C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0	CC(C(C(C(CO)O)O)O)O
ACDLabs 10.04	OC(C(O)C)C(O)C(O)CO
CACTVS 3.341	C[CH](O)[CH](O)[CH](O)[CH](O)CO

Name:

FUCITOL

DrugBank:

DB03815

ZINC:

ZINC000002575033

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).