BioLiP

PDB

BioLiP

PDB CCD ID:

TMX

Number of entries in BioLiP:

Chemical formula:

C9 H20 N O5

InChI:

InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1

InChIKey:

SYZAECJPHGGBMC-JGKVKWKGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C[N+](C)(C)C1C(C(C(OC1O)CO)O)O
OpenEye OEToolkits 1.7.0	C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
ACDLabs 12.01	OC1OC(C(O)C(O)C1[N+](C)(C)C)CO
CACTVS 3.370	C[N+](C)(C)[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
CACTVS 3.370	C[N+](C)(C)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

Name:

2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose;
2-deoxy-2-(trimethylammonio)-beta-D-glucose;
2-deoxy-2-(trimethylammonio)-D-glucose;
2-deoxy-2-(trimethylammonio)-glucose

ZINC:

ZINC000035495801

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).